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

C16H26N2O2 — CID 61174084

IUPAC(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
SMILESCCOc1ccc(C(C)NC(=O)[C@@H](N)C(C)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-11(3)15(17)16(19)18-12(4)13-7-9-14(10-8-13)20-6-2/h7-12,15H,5-6,17H2,1-4H3,(H,18,19)/t11?,12?,15-/m0/s1
InChIKeyQHGGGJUYUGDSJJ-QOZQQMKHSA-N
MW278.40 g/mol
LogP2.64
Rot. Bonds7

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

(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide (PubChem CID 61174084) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
PubChem CID61174084
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
SMILESCCOc1ccc(C(C)NC(=O)[C@@H](N)C(C)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-11(3)15(17)16(19)18-12(4)13-7-9-14(10-8-13)20-6-2/h7-12,15H,5-6,17H2,1-4H3,(H,18,19)/t11?,12?,15-/m0/s1
InChIKeyQHGGGJUYUGDSJJ-QOZQQMKHSA-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

2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119815236
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
2-amino-N-[1-(4-ethoxyphenyl)ethyl]hexanamide
CID 60854414
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride
CID 119721981
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
CID 81070435
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide (CID 61174084) is (2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide is CCOc1ccc(C(C)NC(=O)[C@@H](N)C(C)CC)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide?
The InChIKey is QHGGGJUYUGDSJJ-QOZQQMKHSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-11(3)15(17)16(19)18-12(4)13-7-9-14(10-8-13)20-6-2/h7-12,15H,5-6,17H2,1-4H3,(H,18,19)/t11?,12?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide?
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-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-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 61174084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).