2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide

C14H21N3O2 — CID 82016802

IUPAC2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCC(C)CN
InChIInChI=1S/C14H21N3O2/c1-10(9-15)7-8-13(18)17-12-6-4-3-5-11(12)14(19)16-2/h3-6,10H,7-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNCMBYWGLRVPXKQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.36
Rot. Bonds6

About 2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide

2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide (PubChem CID 82016802) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
PubChem CID82016802
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCC(C)CN
InChIInChI=1S/C14H21N3O2/c1-10(9-15)7-8-13(18)17-12-6-4-3-5-11(12)14(19)16-2/h3-6,10H,7-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNCMBYWGLRVPXKQ-UHFFFAOYSA-N
XLogP1.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide
CID 65225738
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
2-(3-acetamidopropanoylamino)-N-methylbenzamide
CID 110606657
3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide
CID 82012587
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide
CID 82012481
5-amino-4-methyl-N-(2-piperidin-1-ylphenyl)pentanamide
CID 82014227

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide?
The IUPAC name of 2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide (CID 82016802) is 2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide.
What is the SMILES notation for 2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide?
The canonical SMILES for 2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)CCC(C)CN.
What is the InChIKey of 2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide?
The InChIKey is NCMBYWGLRVPXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(9-15)7-8-13(18)17-12-6-4-3-5-11(12)14(19)16-2/h3-6,10H,7-9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide?
2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide is sourced from PubChem (CID 82016802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).