N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride

C16H25ClN2O2 — CID 119617229

IUPACN-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride
SMILESCC(CCOc1ccccc1)C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(9-10-20-14-5-3-2-4-6-14)16(19)18-15(11-17)13-7-8-13;/h2-6,12-13,15H,7-11,17H2,1H3,(H,18,19);1H
InChIKeyRIJMVZQVQIBYLY-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.37
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride (PubChem CID 119617229) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride
PubChem CID119617229
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride
SMILESCC(CCOc1ccccc1)C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(9-10-20-14-5-3-2-4-6-14)16(19)18-15(11-17)13-7-8-13;/h2-6,12-13,15H,7-11,17H2,1H3,(H,18,19);1H
InChIKeyRIJMVZQVQIBYLY-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,2-diphenylacetamide;hydrochloride
CID 119616015
2-[(2-methyl-4-phenoxybutanoyl)amino]butanoic acid
CID 119224246
N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119617668
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-phenylpentanamide
CID 65188547
propan-2-yl 2-methyl-4-phenoxybutanoate
CID 174931468
N-(2-amino-1-cyclopropylethyl)-2-(phenylcarbamoylamino)propanamide
CID 119615052
N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide
CID 119613585
N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119615423
N-(2-amino-1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119614077
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 119613815
1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide
CID 97087003
N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119613885

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride (CID 119617229) is N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride is CC(CCOc1ccccc1)C(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride?
The InChIKey is RIJMVZQVQIBYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(9-10-20-14-5-3-2-4-6-14)16(19)18-15(11-17)13-7-8-13;/h2-6,12-13,15H,7-11,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride is sourced from PubChem (CID 119617229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).