N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride

C18H27ClN2O — CID 119615242

IUPACN-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCC(c2ccccc2)CC1)C1CC1
InChIInChI=1S/C18H26N2O.ClH/c19-12-17(15-8-9-15)20-18(21)16-10-6-14(7-11-16)13-4-2-1-3-5-13;/h1-5,14-17H,6-12,19H2,(H,20,21);1H
InChIKeyACSVLEZZGPTNRU-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.24
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119615242) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119615242
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCC(c2ccccc2)CC1)C1CC1
InChIInChI=1S/C18H26N2O.ClH/c19-12-17(15-8-9-15)20-18(21)16-10-6-14(7-11-16)13-4-2-1-3-5-13;/h1-5,14-17H,6-12,19H2,(H,20,21);1H
InChIKeyACSVLEZZGPTNRU-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid
CID 119214109
N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119996102
3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid
CID 119221631
2-[(4-phenylcyclohexanecarbonyl)amino]propanoic acid
CID 119225869
N-(2-amino-1-cyclopropylethyl)-2,2-diphenylacetamide;hydrochloride
CID 119616015
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119607229
N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119617668
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119617299
N-(2-amino-1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 119616056

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride (CID 119615242) is N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1CCC(c2ccccc2)CC1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ACSVLEZZGPTNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c19-12-17(15-8-9-15)20-18(21)16-10-6-14(7-11-16)13-4-2-1-3-5-13;/h1-5,14-17H,6-12,19H2,(H,20,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.24, 5 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)-4-phenylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119615242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).