N-(4-acetamido-3-methylphenyl)-2-aminobutanamide

C13H19N3O2 — CID 43698853

IUPACN-(4-acetamido-3-methylphenyl)-2-aminobutanamide
SMILESCCC(N)C(=O)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C13H19N3O2/c1-4-11(14)13(18)16-10-5-6-12(8(2)7-10)15-9(3)17/h5-7,11H,4,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyAVWBFDGOBUZPKS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds4

About N-(4-acetamido-3-methylphenyl)-2-aminobutanamide

N-(4-acetamido-3-methylphenyl)-2-aminobutanamide (PubChem CID 43698853) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-2-aminobutanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-2-aminobutanamide
PubChem CID43698853
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-acetamido-3-methylphenyl)-2-aminobutanamide
SMILESCCC(N)C(=O)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C13H19N3O2/c1-4-11(14)13(18)16-10-5-6-12(8(2)7-10)15-9(3)17/h5-7,11H,4,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyAVWBFDGOBUZPKS-UHFFFAOYSA-N
XLogP1.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-acetamido-4-methylphenyl)-2-aminobutanamide
CID 79024532
4-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023128
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448
N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide
CID 65225971
5-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023087
4-(2-aminobutanoylamino)-3-methylbenzamide
CID 43706667
4-[[(2R)-2-aminobutanoyl]amino]-3-methylbenzoic acid
CID 79024587
4-(2-aminobutanoylamino)-3-methylbenzoic acid
CID 43714054
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-2-aminobutanamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-2-aminobutanamide (CID 43698853) is N-(4-acetamido-3-methylphenyl)-2-aminobutanamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-2-aminobutanamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-2-aminobutanamide is CCC(N)C(=O)Nc1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-2-aminobutanamide?
The InChIKey is AVWBFDGOBUZPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-11(14)13(18)16-10-5-6-12(8(2)7-10)15-9(3)17/h5-7,11H,4,14H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamido-3-methylphenyl)-2-aminobutanamide?
N-(4-acetamido-3-methylphenyl)-2-aminobutanamide has a molecular weight of 249.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-2-aminobutanamide is sourced from PubChem (CID 43698853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).