2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide

C15H24N2O2 — CID 62472493

IUPAC2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C15H24N2O2/c1-10-5-6-13(11(2)9-10)12(3)17-15(18)14(16)7-8-19-4/h5-6,9,12,14H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyWKZWYLHSTFSZIP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds6

About 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide

2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide (PubChem CID 62472493) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
PubChem CID62472493
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C15H24N2O2/c1-10-5-6-13(11(2)9-10)12(3)17-15(18)14(16)7-8-19-4/h5-6,9,12,14H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyWKZWYLHSTFSZIP-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
CID 81380450
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
CID 54862005
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide
CID 81083466
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide
CID 54862017
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716665
2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 79346636
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid
CID 64887951
2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 62475602
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide (CID 62472493) is 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide is COCCC(N)C(=O)NC(C)c1ccc(C)cc1C.
What is the InChIKey of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide?
The InChIKey is WKZWYLHSTFSZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-5-6-13(11(2)9-10)12(3)17-15(18)14(16)7-8-19-4/h5-6,9,12,14H,7-8,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide?
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide is sourced from PubChem (CID 62472493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).