(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide

C15H24N2O2 — CID 61179411

IUPAC(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1cccc(C(C)NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-10(2)8-14(16)15(18)17-11(3)12-6-5-7-13(9-12)19-4/h5-7,9-11,14H,8,16H2,1-4H3,(H,17,18)/t11?,14-/m0/s1
InChIKeyGJKOUATYKFYLIK-IAXJKZSUSA-N
MW264.37 g/mol
LogP2.25
Rot. Bonds6

About (2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide

(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide (PubChem CID 61179411) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
PubChem CID61179411
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1cccc(C(C)NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-10(2)8-14(16)15(18)17-11(3)12-6-5-7-13(9-12)19-4/h5-7,9-11,14H,8,16H2,1-4H3,(H,17,18)/t11?,14-/m0/s1
InChIKeyGJKOUATYKFYLIK-IAXJKZSUSA-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

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Related Compounds

(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanediamide
CID 81373933
(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 124683253
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
CID 64889104
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81373712
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
methyl 2-[(2-amino-4-methylpentanoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 174902616

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide (CID 61179411) is (2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide is COc1cccc(C(C)NC(=O)[C@@H](N)CC(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide?
The InChIKey is GJKOUATYKFYLIK-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)8-14(16)15(18)17-11(3)12-6-5-7-13(9-12)19-4/h5-7,9-11,14H,8,16H2,1-4H3,(H,17,18)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide 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-(3-methoxyphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 61179411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).