N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide

C27H29N3O5 — CID 3274754

IUPACN'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCC(=O)NCc1ccccc1
InChIInChI=1S/C27H29N3O5/c1-34-23-17-22(30-27(33)20-12-7-4-8-13-20)24(35-2)16-21(23)29-26(32)15-9-14-25(31)28-18-19-10-5-3-6-11-19/h3-8,10-13,16-17H,9,14-15,18H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyCQICJPZJKULAEP-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.38
Rot. Bonds11

About N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide

N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide (PubChem CID 3274754) 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-benzylpentanediamide.

Molecular Properties

Compound NameN'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide
PubChem CID3274754
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC NameN'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCC(=O)NCc1ccccc1
InChIInChI=1S/C27H29N3O5/c1-34-23-17-22(30-27(33)20-12-7-4-8-13-20)24(35-2)16-21(23)29-26(32)15-9-14-25(31)28-18-19-10-5-3-6-11-19/h3-8,10-13,16-17H,9,14-15,18H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyCQICJPZJKULAEP-UHFFFAOYSA-N
XLogP4.38
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
CID 19191483
N-[4-(benzylcarbamothioylamino)-2,5-dimethoxyphenyl]-4-bromobenzamide
CID 1428090
N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19191042
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide
CID 4203137
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
CID 8660271
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
N-[2,5-dimethoxy-4-(prop-2-enylcarbamothioylamino)phenyl]benzamide
CID 8660268

Frequently Asked Questions

What is the IUPAC name of N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide?
The IUPAC name of N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide (CID 3274754) is N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide.
What is the SMILES notation for N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide?
The canonical SMILES for N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCC(=O)NCc1ccccc1.
What is the InChIKey of N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide?
The InChIKey is CQICJPZJKULAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-34-23-17-22(30-27(33)20-12-7-4-8-13-20)24(35-2)16-21(23)29-26(32)15-9-14-25(31)28-18-19-10-5-3-6-11-19/h3-8,10-13,16-17H,9,14-15,18H2,1-2H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide?
N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide has a molecular weight of 475.55 g/mol, XLogP of 4.38, 11 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-benzylpentanediamide is sourced from PubChem (CID 3274754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).