2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide

C15H24N2O2 — CID 115186970

IUPAC2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)NCc1cc(C)c(OC)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-12(8-16)15(18)17-9-13-6-11(3)14(19-4)7-10(13)2/h6-7,12H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyHBNRLGWKCUOICX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.91
Rot. Bonds6

About 2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide

2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide (PubChem CID 115186970) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide
PubChem CID115186970
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)NCc1cc(C)c(OC)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-12(8-16)15(18)17-9-13-6-11(3)14(19-4)7-10(13)2/h6-7,12H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyHBNRLGWKCUOICX-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide
CID 115186984
3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115153646
3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide
CID 115180522
ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate
CID 115141968
2-(aminomethyl)-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115187003
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780829
2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115186987
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-oxobutanamide
CID 115176376
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
2-hydroxy-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115178746
2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
CID 115190244
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide (CID 115186970) is 2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide is CCC(CN)C(=O)NCc1cc(C)c(OC)cc1C.
What is the InChIKey of 2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide?
The InChIKey is HBNRLGWKCUOICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-12(8-16)15(18)17-9-13-6-11(3)14(19-4)7-10(13)2/h6-7,12H,5,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide?
2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide is sourced from PubChem (CID 115186970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).