N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide

C42H79N7O10 — CID 159959051

IUPACN-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide
SMILESCC(C)C(=O)NCCCO.CC(C)C(=O)NCCO.CC(C)C(N)=O.CCCNC(=O)C(C)C.CCNC(=O)C(C)C.COc1cccc2onc(NC(=O)C(C)C)c12
InChIInChI=1S/C12H14N2O3.C7H15NO2.C7H15NO.C6H13NO2.C6H13NO.C4H9NO/c1-7(2)12(15)13-11-10-8(16-3)5-4-6-9(10)17-14-11;1-6(2)7(10)8-4-3-5-9;1-4-5-8-7(9)6(2)3;1-5(2)6(9)7-3-4-8;1-4-7-6(8)5(2)3;1-3(2)4(5)6/h4-7H,1-3H3,(H,13,14,15);6,9H,3-5H2,1-2H3,(H,8,10);6H,4-5H2,1-3H3,(H,8,9);5,8H,3-4H2,1-2H3,(H,7,9);5H,4H2,1-3H3,(H,7,8);3H,1-2H3,(H2,5,6)
InChIKeyODBXATFTZNATPR-UHFFFAOYSA-N
MW842.13 g/mol
LogP4.40
Rot. Bonds16

About N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide

N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide (PubChem CID 159959051) has the molecular formula C42H79N7O10 and a molecular weight of 842.13 g/mol. Its IUPAC name is N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide
PubChem CID159959051
Molecular FormulaC42H79N7O10
Molecular Weight842.13 g/mol
Exact Mass841.59
IUPAC NameN-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide
SMILESCC(C)C(=O)NCCCO.CC(C)C(=O)NCCO.CC(C)C(N)=O.CCCNC(=O)C(C)C.CCNC(=O)C(C)C.COc1cccc2onc(NC(=O)C(C)C)c12
InChIInChI=1S/C12H14N2O3.C7H15NO2.C7H15NO.C6H13NO2.C6H13NO.C4H9NO/c1-7(2)12(15)13-11-10-8(16-3)5-4-6-9(10)17-14-11;1-6(2)7(10)8-4-3-5-9;1-4-5-8-7(9)6(2)3;1-5(2)6(9)7-3-4-8;1-4-7-6(8)5(2)3;1-3(2)4(5)6/h4-7H,1-3H3,(H,13,14,15);6,9H,3-5H2,1-2H3,(H,8,10);6H,4-5H2,1-3H3,(H,8,9);5,8H,3-4H2,1-2H3,(H,7,9);5H,4H2,1-3H3,(H,7,8);3H,1-2H3,(H2,5,6)
InChIKeyODBXATFTZNATPR-UHFFFAOYSA-N
XLogP4.40
TPSA264.31 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500842.13
LogP ≤ 54.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide with MolForge

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Related Compounds

1-[4-(diethylamino)phenyl]-3-(4-methoxy-1,2-benzoxazol-3-yl)-1-sulfanylurea
CID 87432888
3-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
CID 42545360
N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide
CID 42545362
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
1-(4-methoxy-1,2-benzoxazol-3-yl)-3-(2-morpholin-4-ylethyl)thiourea;methyl 2-[[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]carbamothioylamino]propanoate
CID 159689890
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
2-[2-(2-methoxyphenoxy)ethylamino]-N-propylpropanamide
CID 60676693
N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide
CID 43471524
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide?
The IUPAC name of N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide (CID 159959051) is N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide.
What is the SMILES notation for N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide?
The canonical SMILES for N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide is CC(C)C(=O)NCCCO.CC(C)C(=O)NCCO.CC(C)C(N)=O.CCCNC(=O)C(C)C.CCNC(=O)C(C)C.COc1cccc2onc(NC(=O)C(C)C)c12.
What is the InChIKey of N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide?
The InChIKey is ODBXATFTZNATPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.C7H15NO2.C7H15NO.C6H13NO2.C6H13NO.C4H9NO/c1-7(2)12(15)13-11-10-8(16-3)5-4-6-9(10)17-14-11;1-6(2)7(10)8-4-3-5-9;1-4-5-8-7(9)6(2)3;1-5(2)6(9)7-3-4-8;1-4-7-6(8)5(2)3;1-3(2)4(5)6/h4-7H,1-3H3,(H,13,14,15);6,9H,3-5H2,1-2H3,(H,8,10);6H,4-5H2,1-3H3,(H,8,9);5,8H,3-4H2,1-2H3,(H,7,9);5H,4H2,1-3H3,(H,7,8);3H,1-2H3,(H2,5,6).
What are the key properties of N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide?
N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide has a molecular weight of 842.13 g/mol, XLogP of 4.40, 16 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-(3-hydroxypropyl)-2-methylpropanamide;N-(4-methoxy-1,2-benzoxazol-3-yl)-2-methylpropanamide;2-methylpropanamide;2-methyl-N-propylpropanamide is sourced from PubChem (CID 159959051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).