N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate

C22H33NO3 — CID 143418770

IUPACN,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate
SMILESCC.CC.CNC(=O)c1ccc(C)cc1.COC(=O)c1ccc(C)cc1
InChIInChI=1S/C9H11NO.C9H10O2.2C2H6/c1-7-3-5-8(6-4-7)9(11)10-2;1-7-3-5-8(6-4-7)9(10)11-2;2*1-2/h3-6H,1-2H3,(H,10,11);3-6H,1-2H3;2*1-2H3
InChIKeyCSJMHGDKKQEZOS-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.19
Rot. Bonds2

About N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate

N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate (PubChem CID 143418770) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate.

Molecular Properties

Compound NameN,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate
PubChem CID143418770
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC NameN,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate
SMILESCC.CC.CNC(=O)c1ccc(C)cc1.COC(=O)c1ccc(C)cc1
InChIInChI=1S/C9H11NO.C9H10O2.2C2H6/c1-7-3-5-8(6-4-7)9(11)10-2;1-7-3-5-8(6-4-7)9(10)11-2;2*1-2/h3-6H,1-2H3,(H,10,11);3-6H,1-2H3;2*1-2H3
InChIKeyCSJMHGDKKQEZOS-UHFFFAOYSA-N
XLogP5.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
CID 175211628
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
N,4-dimethylbenzamide;ethane;toluene
CID 143677670
methyl 4-methylbenzoate tritetrafluoroborate
CID 175179502
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
methyl 4-[4-[bis[4-(4-methoxycarbonylphenyl)phenyl]-[4-(4-methylphenyl)phenyl]methyl]phenyl]benzoate
CID 118119644
methyl 4-(chlorocarbamoyl)benzoate
CID 87175338
ethyl 4-(methylcarbamoyl)benzoate
CID 125143185
methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate
CID 102198007
hexane;methyl 4-methylbenzoate
CID 143689226

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate?
The IUPAC name of N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate (CID 143418770) is N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate.
What is the SMILES notation for N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate?
The canonical SMILES for N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate is CC.CC.CNC(=O)c1ccc(C)cc1.COC(=O)c1ccc(C)cc1.
What is the InChIKey of N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate?
The InChIKey is CSJMHGDKKQEZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C9H10O2.2C2H6/c1-7-3-5-8(6-4-7)9(11)10-2;1-7-3-5-8(6-4-7)9(10)11-2;2*1-2/h3-6H,1-2H3,(H,10,11);3-6H,1-2H3;2*1-2H3.
What are the key properties of N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate?
N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate has a molecular weight of 359.51 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate is sourced from PubChem (CID 143418770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).