3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride

C21H27ClN2O — CID 119949645

IUPAC3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCCc1ccc(CN(C(=O)CC(N)c2ccccc2)C2CC2)cc1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-2-16-8-10-17(11-9-16)15-23(19-12-13-19)21(24)14-20(22)18-6-4-3-5-7-18;/h3-11,19-20H,2,12-15,22H2,1H3;1H
InChIKeyWNYRWPQUKIKOAM-UHFFFAOYSA-N
MW358.91 g/mol
LogP4.25
Rot. Bonds7

About 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride

3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119949645) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119949645
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCCc1ccc(CN(C(=O)CC(N)c2ccccc2)C2CC2)cc1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-2-16-8-10-17(11-9-16)15-23(19-12-13-19)21(24)14-20(22)18-6-4-3-5-7-18;/h3-11,19-20H,2,12-15,22H2,1H3;1H
InChIKeyWNYRWPQUKIKOAM-UHFFFAOYSA-N
XLogP4.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid
CID 61161827
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride
CID 119950307
3-amino-N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 119950141
3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide
CID 54916242
3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
CID 119948804
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
CID 60725115
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 61165442
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride (CID 119949645) is 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride is CCc1ccc(CN(C(=O)CC(N)c2ccccc2)C2CC2)cc1.Cl.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is WNYRWPQUKIKOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.ClH/c1-2-16-8-10-17(11-9-16)15-23(19-12-13-19)21(24)14-20(22)18-6-4-3-5-7-18;/h3-11,19-20H,2,12-15,22H2,1H3;1H.
What are the key properties of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119949645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).