2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide

C15H24N2O — CID 115187565

IUPAC2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc(CCNC(=O)C(CN)C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)14(10-16)15(18)17-9-8-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyXUQXQUOGKHFRSJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.88
Rot. Bonds6

About 2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide

2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide (PubChem CID 115187565) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide
PubChem CID115187565
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc(CCNC(=O)C(CN)C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)14(10-16)15(18)17-9-8-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyXUQXQUOGKHFRSJ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115187566
3-amino-2-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180718
2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide
CID 115187571
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187033
2-(aminomethyl)-3-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115187573
2-amino-3-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180033
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119548129
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
4-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzoic acid
CID 65227428

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide (CID 115187565) is 2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide is Cc1ccc(CCNC(=O)C(CN)C(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide?
The InChIKey is XUQXQUOGKHFRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)14(10-16)15(18)17-9-8-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide?
2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 115187565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).