(2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride

C13H21ClN2O — CID 119305750

IUPAC(2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride
SMILESCC(C)c1cccc(N(C)C(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9(2)11-6-5-7-12(8-11)15(4)13(16)10(3)14;/h5-10H,14H2,1-4H3;1H/t10-;/m0./s1
InChIKeyCCSNTDNLEONNNW-PPHPATTJSA-N
MW256.78 g/mol
LogP2.54
Rot. Bonds3

About (2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride

(2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride (PubChem CID 119305750) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride
PubChem CID119305750
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name(2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride
SMILESCC(C)c1cccc(N(C)C(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9(2)11-6-5-7-12(8-11)15(4)13(16)10(3)14;/h5-10H,14H2,1-4H3;1H/t10-;/m0./s1
InChIKeyCCSNTDNLEONNNW-PPHPATTJSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
3-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide
CID 119305753
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
N-methyl-N-(3-propan-2-ylphenyl)prop-2-enamide
CID 163441279
N-methyl-N-(3-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131546
1-amino-N-methyl-N-(3-propan-2-ylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119305766
(2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide
CID 91082620
2-amino-N-methyl-N-(3-methylphenyl)-2-phenylacetamide
CID 76931148
2-amino-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 23221170
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
2-amino-N-(2,6-dimethylphenyl)-N-methylpropanamide
CID 10081730
N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119752994

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride (CID 119305750) is (2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride is CC(C)c1cccc(N(C)C(=O)[C@H](C)N)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride?
The InChIKey is CCSNTDNLEONNNW-PPHPATTJSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-9(2)11-6-5-7-12(8-11)15(4)13(16)10(3)14;/h5-10H,14H2,1-4H3;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride?
(2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119305750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).