N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride

C16H27ClN2O2 — CID 119640254

IUPACN-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCc1ccccc1OC.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-16(17,5-2)12-18-15(19)11-10-13-8-6-7-9-14(13)20-3;/h6-9H,4-5,10-12,17H2,1-3H3,(H,18,19);1H
InChIKeyAOPKXZHVOOLMIU-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.68
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119640254) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride
PubChem CID119640254
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCc1ccccc1OC.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-16(17,5-2)12-18-15(19)11-10-13-8-6-7-9-14(13)20-3;/h6-9H,4-5,10-12,17H2,1-3H3,(H,18,19);1H
InChIKeyAOPKXZHVOOLMIU-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119643835
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride
CID 119643020
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119643560
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119641340
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide
CID 119643172
3-(2-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51164305
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride (CID 119640254) is N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride is CCC(N)(CC)CNC(=O)CCc1ccccc1OC.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is AOPKXZHVOOLMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-4-16(17,5-2)12-18-15(19)11-10-13-8-6-7-9-14(13)20-3;/h6-9H,4-5,10-12,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119640254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).