4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide

C24H24N2O3 — CID 134006936

IUPAC4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-16-9-14-22(29-3)21(15-16)17(2)25-23(27)19-10-12-20(13-11-19)26-24(28)18-7-5-4-6-8-18/h4-15,17H,1-3H3,(H,25,27)(H,26,28)
InChIKeyMIVWCLLDJYQZPW-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.75
Rot. Bonds6

About 4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide

4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 134006936) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID134006936
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-16-9-14-22(29-3)21(15-16)17(2)25-23(27)19-10-12-20(13-11-19)26-24(28)18-7-5-4-6-8-18/h4-15,17H,1-3H3,(H,25,27)(H,26,28)
InChIKeyMIVWCLLDJYQZPW-UHFFFAOYSA-N
XLogP4.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9264258
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
CID 9264228
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 41277485

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 134006936) is 4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1C(C)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is MIVWCLLDJYQZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-9-14-22(29-3)21(15-16)17(2)25-23(27)19-10-12-20(13-11-19)26-24(28)18-7-5-4-6-8-18/h4-15,17H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 134006936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).