3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide

C18H25NO2 — CID 154665758

IUPAC3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CC(Cc2ccccc2)C1
InChIInChI=1S/C18H25NO2/c20-17-8-6-16(7-9-17)19-18(21)15-11-14(12-15)10-13-4-2-1-3-5-13/h1-5,14-17,20H,6-12H2,(H,19,21)
InChIKeyQFTRCULBGRIQMD-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.67
Rot. Bonds4

About 3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide

3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide (PubChem CID 154665758) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
PubChem CID154665758
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CC(Cc2ccccc2)C1
InChIInChI=1S/C18H25NO2/c20-17-8-6-16(7-9-17)19-18(21)15-11-14(12-15)10-13-4-2-1-3-5-13/h1-5,14-17,20H,6-12H2,(H,19,21)
InChIKeyQFTRCULBGRIQMD-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
CID 47217884
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CID 5175687
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CID 109139698
(3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
CID 56854204
1-[(1R,3R)-3-benzylcyclopentyl]ethanone
CID 159558232
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684
(3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide
CID 156839533
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023397
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
1-(furan-2-carbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 17447551
(3S,4S)-1-benzyl-4-(4-fluorobenzoyl)-N-(4-hydroxycyclohexyl)pyrrolidine-3-carboxamide
CID 46968037

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide (CID 154665758) is 3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide is O=C(NC1CCC(O)CC1)C1CC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide?
The InChIKey is QFTRCULBGRIQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-17-8-6-16(7-9-17)19-18(21)15-11-14(12-15)10-13-4-2-1-3-5-13/h1-5,14-17,20H,6-12H2,(H,19,21).
What are the key properties of 3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide?
3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 154665758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).