N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide

C20H25N3O4 — CID 119265950

IUPACN-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
SMILESCCCC(N)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-4-8-14(21)20(25)23-16-12-17(26-2)15(11-18(16)27-3)22-19(24)13-9-6-5-7-10-13/h5-7,9-12,14H,4,8,21H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAJCVUVCRZJVOCW-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.02
Rot. Bonds8

About N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide

N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide (PubChem CID 119265950) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
PubChem CID119265950
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
SMILESCCCC(N)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-4-8-14(21)20(25)23-16-12-17(26-2)15(11-18(16)27-3)22-19(24)13-9-6-5-7-10-13/h5-7,9-12,14H,4,8,21H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAJCVUVCRZJVOCW-UHFFFAOYSA-N
XLogP3.02
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265926
N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide
CID 4035607
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961
2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
CID 103870871
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119301241
N-[4-[2-(4-ethylphenoxy)propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 53266069
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
CID 8660271
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzoic acid
CID 107145552
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide (CID 119265950) is N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide is CCCC(N)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide?
The InChIKey is AJCVUVCRZJVOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-8-14(21)20(25)23-16-12-17(26-2)15(11-18(16)27-3)22-19(24)13-9-6-5-7-10-13/h5-7,9-12,14H,4,8,21H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide?
N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 119265950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).