N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride

C19H29ClN2O — CID 119589993

IUPACN-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1(c2ccccc2)CCC1)C1CCCCC1
InChIInChI=1S/C19H28N2O.ClH/c20-14-17(15-8-3-1-4-9-15)21-18(22)19(12-7-13-19)16-10-5-2-6-11-16;/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14,20H2,(H,21,22);1H
InChIKeyJIHCUBFDFSBCAO-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.55
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride (PubChem CID 119589993) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
PubChem CID119589993
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1(c2ccccc2)CCC1)C1CCCCC1
InChIInChI=1S/C19H28N2O.ClH/c20-14-17(15-8-3-1-4-9-15)21-18(22)19(12-7-13-19)16-10-5-2-6-11-16;/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14,20H2,(H,21,22);1H
InChIKeyJIHCUBFDFSBCAO-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride (CID 119589993) is N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1(c2ccccc2)CCC1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride?
The InChIKey is JIHCUBFDFSBCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c20-14-17(15-8-3-1-4-9-15)21-18(22)19(12-7-13-19)16-10-5-2-6-11-16;/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14,20H2,(H,21,22);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.55, 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-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119589993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).