N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide

C15H22N2O2 — CID 112516969

IUPACN-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide
SMILESCC(=O)c1ccc(NC(=O)C(CCN)C(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)14(8-9-16)15(19)17-13-6-4-12(5-7-13)11(3)18/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyHLZFVHVPGUQRLI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.45
Rot. Bonds6

About N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide

N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide (PubChem CID 112516969) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide
PubChem CID112516969
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide
SMILESCC(=O)c1ccc(NC(=O)C(CCN)C(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)14(8-9-16)15(19)17-13-6-4-12(5-7-13)11(3)18/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyHLZFVHVPGUQRLI-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 112516205
(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
CID 2366200
N-(4-acetylphenyl)-3-amino-2-phenylpropanamide
CID 62877329
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide
CID 65225263
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide
CID 103951096
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-prop-2-enylbenzamide
CID 65230297
propan-2-yl 4-[(4-amino-2-methylbutanoyl)amino]benzoate
CID 80543550
4-[[2-(acetylsulfanylmethyl)-3-methylbutanoyl]amino]benzoic acid
CID 88611494

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide (CID 112516969) is N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide is CC(=O)c1ccc(NC(=O)C(CCN)C(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide?
The InChIKey is HLZFVHVPGUQRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)14(8-9-16)15(19)17-13-6-4-12(5-7-13)11(3)18/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide?
N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide has a molecular weight of 262.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide is sourced from PubChem (CID 112516969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).