(2S)-2-amino-N-(2-ethoxyphenyl)butanamide

C12H18N2O2 — CID 79025438

IUPAC(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](N)CC
InChIInChI=1S/C12H18N2O2/c1-3-9(13)12(15)14-10-7-5-6-8-11(10)16-4-2/h5-9H,3-4,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyXGOPMCIWMLMEQG-VIFPVBQESA-N
MW222.29 g/mol
LogP1.76
Rot. Bonds5

About (2S)-2-amino-N-(2-ethoxyphenyl)butanamide

(2S)-2-amino-N-(2-ethoxyphenyl)butanamide (PubChem CID 79025438) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
PubChem CID79025438
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](N)CC
InChIInChI=1S/C12H18N2O2/c1-3-9(13)12(15)14-10-7-5-6-8-11(10)16-4-2/h5-9H,3-4,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyXGOPMCIWMLMEQG-VIFPVBQESA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide
CID 22691913
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
(2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 22691563
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
4-amino-N-(2-ethoxyphenyl)-2-methyl-4-sulfanylidenebutanamide
CID 112511009
2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
CID 63746200
2-amino-N-[2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 119266399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethoxyphenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethoxyphenyl)butanamide (CID 79025438) is (2S)-2-amino-N-(2-ethoxyphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethoxyphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethoxyphenyl)butanamide is CCOc1ccccc1NC(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-2-amino-N-(2-ethoxyphenyl)butanamide?
The InChIKey is XGOPMCIWMLMEQG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-9(13)12(15)14-10-7-5-6-8-11(10)16-4-2/h5-9H,3-4,13H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethoxyphenyl)butanamide?
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.76, 5 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-ethoxyphenyl)butanamide is sourced from PubChem (CID 79025438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).