N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide

C19H27NO2 — CID 155026181

IUPACN-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CC(CCc2ccccc2)C1
InChIInChI=1S/C19H27NO2/c21-18-10-8-17(9-11-18)20-19(22)16-12-15(13-16)7-6-14-4-2-1-3-5-14/h1-5,15-18,21H,6-13H2,(H,20,22)
InChIKeyHUWWUIVGJWCBLI-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.07
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide

N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide (PubChem CID 155026181) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide
PubChem CID155026181
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CC(CCc2ccccc2)C1
InChIInChI=1S/C19H27NO2/c21-18-10-8-17(9-11-18)20-19(22)16-12-15(13-16)7-6-14-4-2-1-3-5-14/h1-5,15-18,21H,6-13H2,(H,20,22)
InChIKeyHUWWUIVGJWCBLI-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1r,3s)-3-[1-(Acetylamino)-1-Methylethyl]-N-[(1s,2s,4r)-1-Benzyl-5-(Butylamino)-2-Hydroxy-4-Methyl-5-Oxopentyl]cyclohexanecarboxamide
CID 45259044
N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide
CID 154665740
N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 154665746
2-(3-benzylcyclobutyl)-N-(4-hydroxycyclohexyl)acetamide
CID 154665769
N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide
CID 154666024
N-(4-hydroxycyclohexyl)-2-[2-(2-phenylethyl)cyclopropyl]acetamide
CID 155258701
N-[(1s,4s)-4-Hydroxycyclohexyl] (1R,2R)-2-(3-phenylpropyl)cyclopropanecarboxamide
CID 164946745
cis-(1S,2S)-2-(benzylsulfanylmethyl)-N-(4-hydroxycyclohexyl)cyclopropane-1-carboxamide
CID 165138201
cis-(1R,2R)-2-(benzylsulfanylmethyl)-N-(4-hydroxycyclohexyl)cyclopropane-1-carboxamide
CID 165138206
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide
CID 166625728
4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
CID 166625783
N-(4-hydroxycyclohexyl)-3-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 166630816

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide (CID 155026181) is N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide is O=C(NC1CCC(O)CC1)C1CC(CCc2ccccc2)C1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide?
The InChIKey is HUWWUIVGJWCBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c21-18-10-8-17(9-11-18)20-19(22)16-12-15(13-16)7-6-14-4-2-1-3-5-14/h1-5,15-18,21H,6-13H2,(H,20,22).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide?
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 155026181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).