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

C16H26N2O2 — CID 124683253

IUPAC(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide
SMILESCCOc1cccc([C@@H](C)NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-20-14-8-6-7-13(10-14)12(4)18-16(19)15(17)9-11(2)3/h6-8,10-12,15H,5,9,17H2,1-4H3,(H,18,19)/t12-,15+/m1/s1
InChIKeyVLDQZFGWIMKLOW-DOMZBBRYSA-N
MW278.40 g/mol
LogP2.64
Rot. Bonds7

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

(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide (PubChem CID 124683253) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide
PubChem CID124683253
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide
SMILESCCOc1cccc([C@@H](C)NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-20-14-8-6-7-13(10-14)12(4)18-16(19)15(17)9-11(2)3/h6-8,10-12,15H,5,9,17H2,1-4H3,(H,18,19)/t12-,15+/m1/s1
InChIKeyVLDQZFGWIMKLOW-DOMZBBRYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanediamide
CID 81373933
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide (CID 124683253) is (2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide is CCOc1cccc([C@@H](C)NC(=O)[C@@H](N)CC(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide?
The InChIKey is VLDQZFGWIMKLOW-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-20-14-8-6-7-13(10-14)12(4)18-16(19)15(17)9-11(2)3/h6-8,10-12,15H,5,9,17H2,1-4H3,(H,18,19)/t12-,15+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 124683253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).