N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide

C18H25NO2 — CID 64865922

IUPACN-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25NO2/c20-16(19-14-17(21)10-5-2-6-11-17)18(12-7-13-18)15-8-3-1-4-9-15/h1,3-4,8-9,21H,2,5-7,10-14H2,(H,19,20)
InChIKeyZFPOETDCFPVYFM-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.92
Rot. Bonds4

About N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 64865922) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID64865922
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25NO2/c20-16(19-14-17(21)10-5-2-6-11-17)18(12-7-13-18)15-8-3-1-4-9-15/h1,3-4,8-9,21H,2,5-7,10-14H2,(H,19,20)
InChIKeyZFPOETDCFPVYFM-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
CID 64865921
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 65123865
1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide
CID 24669113
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 111779691
dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium
CID 2518064

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide (CID 64865922) is N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide is O=C(NCC1(O)CCCCC1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is ZFPOETDCFPVYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-16(19-14-17(21)10-5-2-6-11-17)18(12-7-13-18)15-8-3-1-4-9-15/h1,3-4,8-9,21H,2,5-7,10-14H2,(H,19,20).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 64865922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).