(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide

C15H24N2O2 — CID 119342540

IUPAC(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
SMILESCOc1ccccc1C(CC(C)C)NC(=O)[C@H](C)N
InChIInChI=1S/C15H24N2O2/c1-10(2)9-13(17-15(18)11(3)16)12-7-5-6-8-14(12)19-4/h5-8,10-11,13H,9,16H2,1-4H3,(H,17,18)/t11-,13?/m0/s1
InChIKeyQSWAOTYBVLBGJI-AMGKYWFPSA-N
MW264.37 g/mol
LogP2.25
Rot. Bonds6

About (2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide

(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide (PubChem CID 119342540) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
PubChem CID119342540
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
SMILESCOc1ccccc1C(CC(C)C)NC(=O)[C@H](C)N
InChIInChI=1S/C15H24N2O2/c1-10(2)9-13(17-15(18)11(3)16)12-7-5-6-8-14(12)19-4/h5-8,10-11,13H,9,16H2,1-4H3,(H,17,18)/t11-,13?/m0/s1
InChIKeyQSWAOTYBVLBGJI-AMGKYWFPSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
CID 120502168
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
CID 110016070
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736
N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide
CID 119812335
5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride
CID 120638250
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81387704
1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid
CID 122004761
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide (CID 119342540) is (2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide is COc1ccccc1C(CC(C)C)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide?
The InChIKey is QSWAOTYBVLBGJI-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)9-13(17-15(18)11(3)16)12-7-5-6-8-14(12)19-4/h5-8,10-11,13H,9,16H2,1-4H3,(H,17,18)/t11-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide?
(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide is sourced from PubChem (CID 119342540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).