(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride

C14H23ClN2O2 — CID 119284739

IUPAC(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1cccc(OCC(C)C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-13(15)14(17)16-11-6-5-7-12(8-11)18-9-10(2)3;/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyFYOKRJAHLJZNPM-ZOWNYOTGSA-N
MW286.80 g/mol
LogP2.82
Rot. Bonds6

About (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride

(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride (PubChem CID 119284739) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
PubChem CID119284739
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1cccc(OCC(C)C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-13(15)14(17)16-11-6-5-7-12(8-11)18-9-10(2)3;/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyFYOKRJAHLJZNPM-ZOWNYOTGSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120667184
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride (CID 119284739) is (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride is CC[C@H](N)C(=O)Nc1cccc(OCC(C)C)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The InChIKey is FYOKRJAHLJZNPM-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-4-13(15)14(17)16-11-6-5-7-12(8-11)18-9-10(2)3;/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119284739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).