3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride

C21H27ClN2O — CID 119949671

IUPAC3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
SMILESCl.NC(CC(=O)NC1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O.ClH/c22-20(18-9-5-2-6-10-18)15-21(24)23-19-13-11-17(12-14-19)16-7-3-1-4-8-16;/h1-10,17,19-20H,11-15,22H2,(H,23,24);1H
InChIKeyBFNMLCXSLADZLZ-UHFFFAOYSA-N
MW358.91 g/mol
LogP4.34
Rot. Bonds5

About 3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride

3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride (PubChem CID 119949671) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
PubChem CID119949671
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
SMILESCl.NC(CC(=O)NC1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O.ClH/c22-20(18-9-5-2-6-10-18)15-21(24)23-19-13-11-17(12-14-19)16-7-3-1-4-8-16;/h1-10,17,19-20H,11-15,22H2,(H,23,24);1H
InChIKeyBFNMLCXSLADZLZ-UHFFFAOYSA-N
XLogP4.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-3-phenyl-N-(2-phenyloxolan-3-yl)propanamide
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3-amino-N-cyclopropyl-3-pyridin-3-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride (CID 119949671) is 3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride is Cl.NC(CC(=O)NC1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride?
The InChIKey is BFNMLCXSLADZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.ClH/c22-20(18-9-5-2-6-10-18)15-21(24)23-19-13-11-17(12-14-19)16-7-3-1-4-8-16;/h1-10,17,19-20H,11-15,22H2,(H,23,24);1H.
What are the key properties of 3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride?
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 119949671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).