2-(3-acetamidopropanoylamino)-N-methylbenzamide

C13H17N3O3 — CID 110606657

IUPAC2-(3-acetamidopropanoylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCNC(C)=O
InChIInChI=1S/C13H17N3O3/c1-9(17)15-8-7-12(18)16-11-6-4-3-5-10(11)13(19)14-2/h3-6H,7-8H2,1-2H3,(H,14,19)(H,15,17)(H,16,18)
InChIKeyKGXVFVNPKQEALS-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.51
Rot. Bonds5

About 2-(3-acetamidopropanoylamino)-N-methylbenzamide

2-(3-acetamidopropanoylamino)-N-methylbenzamide (PubChem CID 110606657) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(3-acetamidopropanoylamino)-N-methylbenzamide.

Molecular Properties

Compound Name2-(3-acetamidopropanoylamino)-N-methylbenzamide
PubChem CID110606657
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(3-acetamidopropanoylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCNC(C)=O
InChIInChI=1S/C13H17N3O3/c1-9(17)15-8-7-12(18)16-11-6-4-3-5-10(11)13(19)14-2/h3-6H,7-8H2,1-2H3,(H,14,19)(H,15,17)(H,16,18)
InChIKeyKGXVFVNPKQEALS-UHFFFAOYSA-N
XLogP0.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
3-acetamido-N-(2-hydroxyphenyl)propanamide
CID 47110153
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
CID 82016802
3-acetamido-N-phenylpropanamide
CID 7946185
2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide
CID 110606651
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830
2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
CID 34755714
2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
CID 110606723
2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide
CID 110615676
2-(3-acetamidopropanoylamino)-5-hydroxybenzoic acid
CID 61405990

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopropanoylamino)-N-methylbenzamide?
The IUPAC name of 2-(3-acetamidopropanoylamino)-N-methylbenzamide (CID 110606657) is 2-(3-acetamidopropanoylamino)-N-methylbenzamide.
What is the SMILES notation for 2-(3-acetamidopropanoylamino)-N-methylbenzamide?
The canonical SMILES for 2-(3-acetamidopropanoylamino)-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)CCNC(C)=O.
What is the InChIKey of 2-(3-acetamidopropanoylamino)-N-methylbenzamide?
The InChIKey is KGXVFVNPKQEALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(17)15-8-7-12(18)16-11-6-4-3-5-10(11)13(19)14-2/h3-6H,7-8H2,1-2H3,(H,14,19)(H,15,17)(H,16,18).
What are the key properties of 2-(3-acetamidopropanoylamino)-N-methylbenzamide?
2-(3-acetamidopropanoylamino)-N-methylbenzamide has a molecular weight of 263.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopropanoylamino)-N-methylbenzamide is sourced from PubChem (CID 110606657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).