N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide

C27H29N3O5 — CID 4203137

IUPACN-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C27H29N3O5/c1-18(19-10-6-4-7-11-19)28-25(31)14-15-26(32)29-21-16-24(35-3)22(17-23(21)34-2)30-27(33)20-12-8-5-9-13-20/h4-13,16-18H,14-15H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyYGAAPZBAIWKWTC-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.55
Rot. Bonds10

About N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide

N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide (PubChem CID 4203137) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide
PubChem CID4203137
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC NameN-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C27H29N3O5/c1-18(19-10-6-4-7-11-19)28-25(31)14-15-26(32)29-21-16-24(35-3)22(17-23(21)34-2)30-27(33)20-12-8-5-9-13-20/h4-13,16-18H,14-15H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyYGAAPZBAIWKWTC-UHFFFAOYSA-N
XLogP4.55
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide
CID 3274754
N-(2-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945965
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide
CID 41187985
N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide
CID 4035607
N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 2604010
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide?
The IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide (CID 4203137) is N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide.
What is the SMILES notation for N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide?
The canonical SMILES for N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCC(=O)NC(C)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide?
The InChIKey is YGAAPZBAIWKWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-18(19-10-6-4-7-11-19)28-25(31)14-15-26(32)29-21-16-24(35-3)22(17-23(21)34-2)30-27(33)20-12-8-5-9-13-20/h4-13,16-18H,14-15H2,1-3H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide?
N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide has a molecular weight of 475.55 g/mol, XLogP of 4.55, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide is sourced from PubChem (CID 4203137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).