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

C16H27ClN2O — CID 119643019

IUPACN-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCc1ccccc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-16(17,5-2)12-18-15(19)11-10-14-9-7-6-8-13(14)3;/h6-9H,4-5,10-12,17H2,1-3H3,(H,18,19);1H
InChIKeyGJBINODRNAETNU-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.98
Rot. Bonds7

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

N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride (PubChem CID 119643019) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride
PubChem CID119643019
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCc1ccccc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-16(17,5-2)12-18-15(19)11-10-14-9-7-6-8-13(14)3;/h6-9H,4-5,10-12,17H2,1-3H3,(H,18,19);1H
InChIKeyGJBINODRNAETNU-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
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3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
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CID 119643056
N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119643835
N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide
CID 103658237
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
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N-ethoxy-3-(2-methylphenyl)propanamide
CID 63290155
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride (CID 119643019) is N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride is CCC(N)(CC)CNC(=O)CCc1ccccc1C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride?
The InChIKey is GJBINODRNAETNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-4-16(17,5-2)12-18-15(19)11-10-14-9-7-6-8-13(14)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-methylphenyl)propanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119643019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).