4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide

C13H19N3O3 — CID 55080716

IUPAC4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(N)CCOC)cc1
InChIInChI=1S/C13H19N3O3/c1-15-12(17)9-3-5-10(6-4-9)16-13(18)11(14)7-8-19-2/h3-6,11H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZYEJYLCTMUHKME-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.35
Rot. Bonds6

About 4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide

4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide (PubChem CID 55080716) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
PubChem CID55080716
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(N)CCOC)cc1
InChIInChI=1S/C13H19N3O3/c1-15-12(17)9-3-5-10(6-4-9)16-13(18)11(14)7-8-19-2/h3-6,11H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZYEJYLCTMUHKME-UHFFFAOYSA-N
XLogP0.35
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
4-[(2-amino-4-methylsulfonylbutanoyl)amino]-N-methylbenzamide
CID 43702745
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527
methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate
CID 81089380
2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
CID 62473931
2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide
CID 62475184
4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide
CID 78972443
4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid
CID 62476287
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
5-[(2-amino-4-methoxybutanoyl)amino]benzene-1,3-dicarboxylic acid
CID 62475221
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
4-[(3-amino-2-methylbutanoyl)amino]-N-methylbenzamide
CID 113416120

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide?
The IUPAC name of 4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide (CID 55080716) is 4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)C(N)CCOC)cc1.
What is the InChIKey of 4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide?
The InChIKey is ZYEJYLCTMUHKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15-12(17)9-3-5-10(6-4-9)16-13(18)11(14)7-8-19-2/h3-6,11H,7-8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide?
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide is sourced from PubChem (CID 55080716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).