N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride

C20H31ClN2O2 — CID 119591634

IUPACN-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1(c2ccccc2)CCOCC1)C1CCCCC1
InChIInChI=1S/C20H30N2O2.ClH/c21-15-18(16-7-3-1-4-8-16)22-19(23)20(11-13-24-14-12-20)17-9-5-2-6-10-17;/h2,5-6,9-10,16,18H,1,3-4,7-8,11-15,21H2,(H,22,23);1H
InChIKeyIGRHFPQZGFIYPW-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.18
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride (PubChem CID 119591634) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride
PubChem CID119591634
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1(c2ccccc2)CCOCC1)C1CCCCC1
InChIInChI=1S/C20H30N2O2.ClH/c21-15-18(16-7-3-1-4-8-16)22-19(23)20(11-13-24-14-12-20)17-9-5-2-6-10-17;/h2,5-6,9-10,16,18H,1,3-4,7-8,11-15,21H2,(H,22,23);1H
InChIKeyIGRHFPQZGFIYPW-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119589993
N-(2-amino-1-cyclopropylethyl)-1-phenylcyclopentane-1-carboxamide
CID 119616687
N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119589829
N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 60615517
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119615938
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
N-(2-amino-1-cyclopropylethyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide
CID 119613947
N-(2-amino-1-cyclopropylethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119614549
N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119617772
1-[[(4-phenyloxane-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544882
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride (CID 119591634) is N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1(c2ccccc2)CCOCC1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride?
The InChIKey is IGRHFPQZGFIYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c21-15-18(16-7-3-1-4-8-16)22-19(23)20(11-13-24-14-12-20)17-9-5-2-6-10-17;/h2,5-6,9-10,16,18H,1,3-4,7-8,11-15,21H2,(H,22,23);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 119591634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).