N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide

C18H25NO2 — CID 65123865

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C18H25NO2/c1-14-6-5-9-17(21,12-14)13-19-16(20)18(10-11-18)15-7-3-2-4-8-15/h2-4,7-8,14,21H,5-6,9-13H2,1H3,(H,19,20)
InChIKeyXHIMEMONABOESS-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.78
Rot. Bonds4

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 65123865) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID65123865
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C18H25NO2/c1-14-6-5-9-17(21,12-14)13-19-16(20)18(10-11-18)15-7-3-2-4-8-15/h2-4,7-8,14,21H,5-6,9-13H2,1H3,(H,19,20)
InChIKeyXHIMEMONABOESS-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 65120712
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
CID 65124003
3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65124351
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65123924
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide (CID 65123865) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide is CC1CCCC(O)(CNC(=O)C2(c3ccccc3)CC2)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is XHIMEMONABOESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-6-5-9-17(21,12-14)13-19-16(20)18(10-11-18)15-7-3-2-4-8-15/h2-4,7-8,14,21H,5-6,9-13H2,1H3,(H,19,20).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 65123865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).