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

C15H24Cl2N2O — CID 119643405

IUPACN-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-4-15(17,5-2)10-18-14(19)11(3)12-7-6-8-13(16)9-12;/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19);1H
InChIKeyNUBSYZKQKIJBCE-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.50
Rot. Bonds6

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

N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride (PubChem CID 119643405) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride
PubChem CID119643405
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-4-15(17,5-2)10-18-14(19)11(3)12-7-6-8-13(16)9-12;/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19);1H
InChIKeyNUBSYZKQKIJBCE-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119385148
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2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
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N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide
CID 119641253
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(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid
CID 119943058
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119478530
N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119641244
N-(2-amino-2-methylpropyl)-2-naphthalen-2-ylpropanamide;hydrochloride
CID 119630118
1-[1-(3-chlorophenyl)ethyl]-3-(2,2-dimethylpropyl)urea
CID 112839734
2-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514159
2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 167839767

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride (CID 119643405) is N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride is CCC(N)(CC)CNC(=O)C(C)c1cccc(Cl)c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
The InChIKey is NUBSYZKQKIJBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O.ClH/c1-4-15(17,5-2)10-18-14(19)11(3)12-7-6-8-13(16)9-12;/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride has a molecular weight of 319.28 g/mol, XLogP of 3.50, 6 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)-2-(3-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119643405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).