2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride

C13H21ClN2O2 — CID 119261958

IUPAC2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(N)C(C)C)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-4-17-11-7-5-10(6-8-11)15-13(16)12(14)9(2)3;/h5-9,12H,4,14H2,1-3H3,(H,15,16);1H
InChIKeyNFLREFOUPKZXJW-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.43
Rot. Bonds5

About 2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride

2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride (PubChem CID 119261958) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
PubChem CID119261958
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(N)C(C)C)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-4-17-11-7-5-10(6-8-11)15-13(16)12(14)9(2)3;/h5-9,12H,4,14H2,1-3H3,(H,15,16);1H
InChIKeyNFLREFOUPKZXJW-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 81425570
methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
CID 79011577
2-amino-3-methyl-N-(4-prop-2-enoxyphenyl)butanamide
CID 112501590
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468
(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
CID 79013043
(2R)-2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
CID 7079963
(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide
CID 131859212
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride (CID 119261958) is 2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride is CCOc1ccc(NC(=O)C(N)C(C)C)cc1.Cl.
What is the InChIKey of 2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride?
The InChIKey is NFLREFOUPKZXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-4-17-11-7-5-10(6-8-11)15-13(16)12(14)9(2)3;/h5-9,12H,4,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride?
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119261958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).