N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide

C29H29N3O4 — CID 41187985

IUPACN-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C29H29N3O4/c1-19(22-15-9-13-20-10-7-8-14-23(20)22)30-18-28(33)31-24-16-27(36-3)25(17-26(24)35-2)32-29(34)21-11-5-4-6-12-21/h4-17,19,30H,18H2,1-3H3,(H,31,33)(H,32,34)/t19-/m0/s1
InChIKeyHHIXYLLNOLFMGL-IBGZPJMESA-N
MW483.57 g/mol
LogP5.40
Rot. Bonds9

About N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide

N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide (PubChem CID 41187985) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide
PubChem CID41187985
Molecular FormulaC29H29N3O4
Molecular Weight483.57 g/mol
Exact Mass483.22
IUPAC NameN-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C29H29N3O4/c1-19(22-15-9-13-20-10-7-8-14-23(20)22)30-18-28(33)31-24-16-27(36-3)25(17-26(24)35-2)32-29(34)21-11-5-4-6-12-21/h4-17,19,30H,18H2,1-3H3,(H,31,33)(H,32,34)/t19-/m0/s1
InChIKeyHHIXYLLNOLFMGL-IBGZPJMESA-N
XLogP5.40
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide with MolForge

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396925
N-(2-methoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397269
methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate
CID 9397461
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(3-methoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396909
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-(2-phenylphenyl)acetamide
CID 9397796
N-(2,4-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397239
N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide
CID 4203137
N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108
N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide
CID 26705081
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319
N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
CID 24635188

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide (CID 41187985) is N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN[C@@H](C)c1cccc2ccccc12.
What is the InChIKey of N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide?
The InChIKey is HHIXYLLNOLFMGL-IBGZPJMESA-N. The full InChI is InChI=1S/C29H29N3O4/c1-19(22-15-9-13-20-10-7-8-14-23(20)22)30-18-28(33)31-24-16-27(36-3)25(17-26(24)35-2)32-29(34)21-11-5-4-6-12-21/h4-17,19,30H,18H2,1-3H3,(H,31,33)(H,32,34)/t19-/m0/s1.
What are the key properties of N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 5.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 41187985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).