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

C15H25ClN2O2 — CID 119284740

IUPAC2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
SMILESCC(C)COc1cccc(NC(=O)C(N)C(C)C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-10(2)9-19-13-7-5-6-12(8-13)17-15(18)14(16)11(3)4;/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18);1H
InChIKeyQFWAWQXSGKBYIB-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.07
Rot. Bonds6

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

2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride (PubChem CID 119284740) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
PubChem CID119284740
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
SMILESCC(C)COc1cccc(NC(=O)C(N)C(C)C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-10(2)9-19-13-7-5-6-12(8-13)17-15(18)14(16)11(3)4;/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18);1H
InChIKeyQFWAWQXSGKBYIB-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
2-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 43708782
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120667184
2-amino-N-[3-(3-cyanopropoxy)phenyl]-3-methylbutanamide
CID 60927001

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride (CID 119284740) is 2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride is CC(C)COc1cccc(NC(=O)C(N)C(C)C)c1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The InChIKey is QFWAWQXSGKBYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-10(2)9-19-13-7-5-6-12(8-13)17-15(18)14(16)11(3)4;/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119284740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).