N-[4-(2-amino-3-methylbutyl)phenyl]butanamide

C15H24N2O — CID 82260021

IUPACN-[4-(2-amino-3-methylbutyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CC(N)C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-15(18)17-13-8-6-12(7-9-13)10-14(16)11(2)3/h6-9,11,14H,4-5,10,16H2,1-3H3,(H,17,18)
InChIKeyBCGPHWDMOZKXTJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.95
Rot. Bonds6

About N-[4-(2-amino-3-methylbutyl)phenyl]butanamide

N-[4-(2-amino-3-methylbutyl)phenyl]butanamide (PubChem CID 82260021) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[4-(2-amino-3-methylbutyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(2-amino-3-methylbutyl)phenyl]butanamide
PubChem CID82260021
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[4-(2-amino-3-methylbutyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CC(N)C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-15(18)17-13-8-6-12(7-9-13)10-14(16)11(2)3/h6-9,11,14H,4-5,10,16H2,1-3H3,(H,17,18)
InChIKeyBCGPHWDMOZKXTJ-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-bromo-4-methylpentyl)phenyl]butanamide
CID 82259537
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide
CID 119723638
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119723637
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
2-[4-(butanoylamino)phenyl]ethyl formate
CID 87851880
4-cyano-N-(4-ethylphenyl)-5-methylhexanamide
CID 112516687
2-methyl-3-[4-[[4-oxo-4-(propylamino)butanoyl]amino]phenyl]propanoic acid
CID 120541478
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-3-methylbutyl)phenyl]butanamide?
The IUPAC name of N-[4-(2-amino-3-methylbutyl)phenyl]butanamide (CID 82260021) is N-[4-(2-amino-3-methylbutyl)phenyl]butanamide.
What is the SMILES notation for N-[4-(2-amino-3-methylbutyl)phenyl]butanamide?
The canonical SMILES for N-[4-(2-amino-3-methylbutyl)phenyl]butanamide is CCCC(=O)Nc1ccc(CC(N)C(C)C)cc1.
What is the InChIKey of N-[4-(2-amino-3-methylbutyl)phenyl]butanamide?
The InChIKey is BCGPHWDMOZKXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-15(18)17-13-8-6-12(7-9-13)10-14(16)11(2)3/h6-9,11,14H,4-5,10,16H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(2-amino-3-methylbutyl)phenyl]butanamide?
N-[4-(2-amino-3-methylbutyl)phenyl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-3-methylbutyl)phenyl]butanamide is sourced from PubChem (CID 82260021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).