N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride

C17H27ClN2O — CID 119613872

IUPACN-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride
SMILESCCc1ccc(C(C)CC(=O)NC(CN)C2CC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-13-4-6-14(7-5-13)12(2)10-17(20)19-16(11-18)15-8-9-15;/h4-7,12,15-16H,3,8-11,18H2,1-2H3,(H,19,20);1H
InChIKeyRXFHMJNNEXCXKU-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.02
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride (PubChem CID 119613872) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride
PubChem CID119613872
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride
SMILESCCc1ccc(C(C)CC(=O)NC(CN)C2CC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-13-4-6-14(7-5-13)12(2)10-17(20)19-16(11-18)15-8-9-15;/h4-7,12,15-16H,3,8-11,18H2,1-2H3,(H,19,20);1H
InChIKeyRXFHMJNNEXCXKU-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
CID 119615543
N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
CID 119609944
(2S)-2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119942975
2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119349149
N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide
CID 119475429
N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride
CID 119495877
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373
4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587047
3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553755
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119613878
3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide
CID 104502552
3-(4-aminophenyl)-N-[(1R)-1-cyclohexylethyl]butanamide
CID 104502868

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride (CID 119613872) is N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride is CCc1ccc(C(C)CC(=O)NC(CN)C2CC2)cc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride?
The InChIKey is RXFHMJNNEXCXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-3-13-4-6-14(7-5-13)12(2)10-17(20)19-16(11-18)15-8-9-15;/h4-7,12,15-16H,3,8-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119613872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).