2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride

C13H21ClN2O2 — CID 119319100

IUPAC2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
SMILESCOc1ccccc1CC(C)N(C)C(=O)CN.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10(15(2)13(16)9-14)8-11-6-4-5-7-12(11)17-3;/h4-7,10H,8-9,14H2,1-3H3;1H
InChIKeyDRENHMATBYBDAQ-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.47
Rot. Bonds5

About 2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride

2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride (PubChem CID 119319100) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
PubChem CID119319100
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
SMILESCOc1ccccc1CC(C)N(C)C(=O)CN.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10(15(2)13(16)9-14)8-11-6-4-5-7-12(11)17-3;/h4-7,10H,8-9,14H2,1-3H3;1H
InChIKeyDRENHMATBYBDAQ-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpentanamide
CID 81084373
2-amino-N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119309200
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,4-dimethylpentanamide
CID 65488585
2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
CID 65488021
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride (CID 119319100) is 2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride is COc1ccccc1CC(C)N(C)C(=O)CN.Cl.
What is the InChIKey of 2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride?
The InChIKey is DRENHMATBYBDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-10(15(2)13(16)9-14)8-11-6-4-5-7-12(11)17-3;/h4-7,10H,8-9,14H2,1-3H3;1H.
What are the key properties of 2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride?
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119319100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).