(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride

C13H21ClN2O2 — CID 119266766

IUPAC(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
SMILESCCOc1ccc(CN(C)C(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-4-17-12-7-5-11(6-8-12)9-15(3)13(16)10(2)14;/h5-8,10H,4,9,14H2,1-3H3;1H/t10-;/m1./s1
InChIKeyWCFVQJVPQNRMGG-HNCPQSOCSA-N
MW272.78 g/mol
LogP1.81
Rot. Bonds5

About (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride

(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride (PubChem CID 119266766) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
PubChem CID119266766
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
SMILESCCOc1ccc(CN(C)C(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-4-17-12-7-5-11(6-8-12)9-15(3)13(16)10(2)14;/h5-8,10H,4,9,14H2,1-3H3;1H/t10-;/m1./s1
InChIKeyWCFVQJVPQNRMGG-HNCPQSOCSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895070
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119268141
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 61146195
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 78973192
5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012601
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
benzyl N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55942821
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride (CID 119266766) is (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride is CCOc1ccc(CN(C)C(=O)[C@@H](C)N)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride?
The InChIKey is WCFVQJVPQNRMGG-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-4-17-12-7-5-11(6-8-12)9-15(3)13(16)10(2)14;/h5-8,10H,4,9,14H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride?
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119266766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).