N-(3-acetylphenyl)-2-(aminomethyl)butanamide

C13H18N2O2 — CID 65229339

IUPACN-(3-acetylphenyl)-2-(aminomethyl)butanamide
SMILESCCC(CN)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C13H18N2O2/c1-3-10(8-14)13(17)15-12-6-4-5-11(7-12)9(2)16/h4-7,10H,3,8,14H2,1-2H3,(H,15,17)
InChIKeyPDUNYQUQRIGGIF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.81
Rot. Bonds5

About N-(3-acetylphenyl)-2-(aminomethyl)butanamide

N-(3-acetylphenyl)-2-(aminomethyl)butanamide (PubChem CID 65229339) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(aminomethyl)butanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(aminomethyl)butanamide
PubChem CID65229339
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3-acetylphenyl)-2-(aminomethyl)butanamide
SMILESCCC(CN)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C13H18N2O2/c1-3-10(8-14)13(17)15-12-6-4-5-11(7-12)9(2)16/h4-7,10H,3,8,14H2,1-2H3,(H,15,17)
InChIKeyPDUNYQUQRIGGIF-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[3-[2-(aminomethyl)butanoylamino]phenyl]prop-2-enoic acid
CID 115339673
N-(3-acetylphenyl)-3-amino-2-methoxypropanamide
CID 106112568
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891
methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089
4-(3-acetylanilino)-2-ethyl-4-oxobutanoic acid
CID 112517077
2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide
CID 114001896
3-[[3-(2-ethylbutanoylamino)benzoyl]amino]benzoate
CID 6978042
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
N-(3-acetylphenyl)propanamide
CID 903063

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(aminomethyl)butanamide?
The IUPAC name of N-(3-acetylphenyl)-2-(aminomethyl)butanamide (CID 65229339) is N-(3-acetylphenyl)-2-(aminomethyl)butanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(aminomethyl)butanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(aminomethyl)butanamide is CCC(CN)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(aminomethyl)butanamide?
The InChIKey is PDUNYQUQRIGGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-10(8-14)13(17)15-12-6-4-5-11(7-12)9(2)16/h4-7,10H,3,8,14H2,1-2H3,(H,15,17).
What are the key properties of N-(3-acetylphenyl)-2-(aminomethyl)butanamide?
N-(3-acetylphenyl)-2-(aminomethyl)butanamide has a molecular weight of 234.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(aminomethyl)butanamide is sourced from PubChem (CID 65229339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).