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

C16H26N2O2 — CID 119772916

IUPAC(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
SMILESCCOc1ccccc1CCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C16H26N2O2/c1-4-20-15-8-6-5-7-13(15)9-10-18-16(19)14(17)11-12(2)3/h5-8,12,14H,4,9-11,17H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyLSJWPYWHUUPBPQ-AWEZNQCLSA-N
MW278.40 g/mol
LogP2.12
Rot. Bonds8

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

(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide (PubChem CID 119772916) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
PubChem CID119772916
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
SMILESCCOc1ccccc1CCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C16H26N2O2/c1-4-20-15-8-6-5-7-13(15)9-10-18-16(19)14(17)11-12(2)3/h5-8,12,14H,4,9-11,17H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyLSJWPYWHUUPBPQ-AWEZNQCLSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-ethoxyphenyl)ethyl]pentanamide
CID 119317373
N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119772890
2-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120668248
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide
CID 110482461
N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119772879
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide
CID 119738781
3-[2-(2-ethoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000462
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 97058604

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide (CID 119772916) is (2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide is CCOc1ccccc1CCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide?
The InChIKey is LSJWPYWHUUPBPQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-20-15-8-6-5-7-13(15)9-10-18-16(19)14(17)11-12(2)3/h5-8,12,14H,4,9-11,17H2,1-3H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 119772916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).