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

C15H24N2O2 — CID 81373790

IUPAC2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H24N2O2/c1-5-10(2)14(16)15(18)17-11(3)12-7-6-8-13(9-12)19-4/h6-11,14H,5,16H2,1-4H3,(H,17,18)/t10?,11-,14?/m0/s1
InChIKeyGNIYSVHWCQUDSQ-CVZZAPKMSA-N
MW264.37 g/mol
LogP2.25
Rot. Bonds6

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

2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide (PubChem CID 81373790) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
PubChem CID81373790
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H24N2O2/c1-5-10(2)14(16)15(18)17-11(3)12-7-6-8-13(9-12)19-4/h6-11,14H,5,16H2,1-4H3,(H,17,18)/t10?,11-,14?/m0/s1
InChIKeyGNIYSVHWCQUDSQ-CVZZAPKMSA-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

(2S,3S)-2-amino-3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61178738
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
(2S)-2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylpentanamide
CID 81376335
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanediamide
CID 81373933
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide (CID 81373790) is 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide is CCC(C)C(N)C(=O)N[C@@H](C)c1cccc(OC)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide?
The InChIKey is GNIYSVHWCQUDSQ-CVZZAPKMSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-10(2)14(16)15(18)17-11(3)12-7-6-8-13(9-12)19-4/h6-11,14H,5,16H2,1-4H3,(H,17,18)/t10?,11-,14?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide?
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-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 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 81373790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).