2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride

C21H29ClN2O2 — CID 119334352

IUPAC2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)C(C)c1ccc(-c2ccccc2OC)cc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-5-8-19(22)21(24)23(3)15(2)16-11-13-17(14-12-16)18-9-6-7-10-20(18)25-4;/h6-7,9-15,19H,5,8,22H2,1-4H3;1H
InChIKeyIQQIYFTYTJNDIB-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.43
Rot. Bonds7

About 2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride

2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride (PubChem CID 119334352) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride
PubChem CID119334352
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)C(C)c1ccc(-c2ccccc2OC)cc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-5-8-19(22)21(24)23(3)15(2)16-11-13-17(14-12-16)18-9-6-7-10-20(18)25-4;/h6-7,9-15,19H,5,8,22H2,1-4H3;1H
InChIKeyIQQIYFTYTJNDIB-UHFFFAOYSA-N
XLogP4.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide
CID 120593275
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119802421
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119802425
3-[1-[4-(2-methoxyphenyl)phenyl]ethyl-methylamino]-N-methylpropanamide
CID 71999792
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119802438
2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide
CID 62474124
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206
(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119275395

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride (CID 119334352) is 2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride is CCCC(N)C(=O)N(C)C(C)c1ccc(-c2ccccc2OC)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride?
The InChIKey is IQQIYFTYTJNDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-5-8-19(22)21(24)23(3)15(2)16-11-13-17(14-12-16)18-9-6-7-10-20(18)25-4;/h6-7,9-15,19H,5,8,22H2,1-4H3;1H.
What are the key properties of 2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride?
2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 119334352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).