3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine

C166H279N13O18S5 — CID 158042065

IUPAC3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ccc(N2CCOCC2)cc1.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1ccc(C(C)(C)C)cc1.CNC(=O)c1cccc(C(C)(C)C)c1.CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.COc1cc(N(C)C)ccc1C(C)(C)C
InChIInChI=1S/C13H19NO.C13H21NO.2C13H19NO.2C12H19NO2S.2C12H17NO.C11H17NO2S.2C11H15NO.2C10H15NO2S.13CH4/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-13(2,3)11-8-7-10(14(4)5)9-12(11)15-6;1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-12(2,3)10-6-8-11(9-7-10)16(14,15)13(4)5;1-12(2,3)10-7-6-8-11(9-10)16(14,15)13(4)5;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-12(2,3)10-7-5-6-9(8-10)11(14)13-4;1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13;;;;;;;;;;;;;/h3-6,11H,7-10H2,1-2H3;7-9H,1-6H3;2*6-9H,1-5H3;2*6-9H,1-5H3;2*5-8H,1-4H3,(H,13,14);5-8,12H,1-4H3;2*4-7H,1-3H3,(H2,12,13);2*4-7H,1-3H3,(H2,11,12,13);13*1H4
InChIKeyFILXIJWIGDQSNB-UHFFFAOYSA-N
MW2905.47 g/mol
LogP37.82
Rot. Bonds18

About 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine

3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine (PubChem CID 158042065) has the molecular formula C166H279N13O18S5 and a molecular weight of 2905.47 g/mol. Its IUPAC name is 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine
PubChem CID158042065
Molecular FormulaC166H279N13O18S5
Molecular Weight2905.47 g/mol
Exact Mass2902.99
IUPAC Name3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ccc(N2CCOCC2)cc1.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1ccc(C(C)(C)C)cc1.CNC(=O)c1cccc(C(C)(C)C)c1.CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.COc1cc(N(C)C)ccc1C(C)(C)C
InChIInChI=1S/C13H19NO.C13H21NO.2C13H19NO.2C12H19NO2S.2C12H17NO.C11H17NO2S.2C11H15NO.2C10H15NO2S.13CH4/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-13(2,3)11-8-7-10(14(4)5)9-12(11)15-6;1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-12(2,3)10-6-8-11(9-7-10)16(14,15)13(4)5;1-12(2,3)10-7-6-8-11(9-10)16(14,15)13(4)5;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-12(2,3)10-7-5-6-9(8-10)11(14)13-4;1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13;;;;;;;;;;;;;/h3-6,11H,7-10H2,1-2H3;7-9H,1-6H3;2*6-9H,1-5H3;2*6-9H,1-5H3;2*5-8H,1-4H3,(H,13,14);5-8,12H,1-4H3;2*4-7H,1-3H3,(H2,12,13);2*4-7H,1-3H3,(H2,11,12,13);13*1H4
InChIKeyFILXIJWIGDQSNB-UHFFFAOYSA-N
XLogP37.82
TPSA451.19 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002905.47
LogP ≤ 537.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine?
The IUPAC name of 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine (CID 158042065) is 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine?
The canonical SMILES for 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ccc(N2CCOCC2)cc1.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1ccc(C(C)(C)C)cc1.CNC(=O)c1cccc(C(C)(C)C)c1.CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.COc1cc(N(C)C)ccc1C(C)(C)C.
What is the InChIKey of 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine?
The InChIKey is FILXIJWIGDQSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C13H21NO.2C13H19NO.2C12H19NO2S.2C12H17NO.C11H17NO2S.2C11H15NO.2C10H15NO2S.13CH4/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-13(2,3)11-8-7-10(14(4)5)9-12(11)15-6;1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-12(2,3)10-6-8-11(9-7-10)16(14,15)13(4)5;1-12(2,3)10-7-6-8-11(9-10)16(14,15)13(4)5;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-12(2,3)10-7-5-6-9(8-10)11(14)13-4;1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-10(2,3)8-5-4-6-9(7-8)14(11,12)13;;;;;;;;;;;;;/h3-6,11H,7-10H2,1-2H3;7-9H,1-6H3;2*6-9H,1-5H3;2*6-9H,1-5H3;2*5-8H,1-4H3,(H,13,14);5-8,12H,1-4H3;2*4-7H,1-3H3,(H2,12,13);2*4-7H,1-3H3,(H2,11,12,13);13*1H4.
What are the key properties of 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine?
3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine has a molecular weight of 2905.47 g/mol, XLogP of 37.82, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;methane;4-(4-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 158042065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).