3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide

C18H25NO2 — CID 11709033

IUPAC3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(c1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C18H25NO2/c1-2-13-19-18(21)16(14-9-5-3-6-10-14)17(20)15-11-7-4-8-12-15/h2-3,5-6,9-10,15-17,20H,1,4,7-8,11-13H2,(H,19,21)
InChIKeyMCRLDCJDSGVHJX-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.01
Rot. Bonds6

About 3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide

3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide (PubChem CID 11709033) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide
PubChem CID11709033
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(c1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C18H25NO2/c1-2-13-19-18(21)16(14-9-5-3-6-10-14)17(20)15-11-7-4-8-12-15/h2-3,5-6,9-10,15-17,20H,1,4,7-8,11-13H2,(H,19,21)
InChIKeyMCRLDCJDSGVHJX-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
CID 1250894
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
2-(3-phenylbutylamino)-N-prop-2-enylpropanamide
CID 62404774
dicyclohexylmethanol;prop-2-enylbenzene
CID 174723759
4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
CID 112509842
3-cyclohexyl-N-hydroxy-2-phenylpropanamide
CID 167915890
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550
(R)-cycloheptyl(phenyl)methanol
CID 94502427
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
(2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide
CID 166439076

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of 3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide (CID 11709033) is 3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for 3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(c1ccccc1)C(O)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide?
The InChIKey is MCRLDCJDSGVHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-13-19-18(21)16(14-9-5-3-6-10-14)17(20)15-11-7-4-8-12-15/h2-3,5-6,9-10,15-17,20H,1,4,7-8,11-13H2,(H,19,21).
What are the key properties of 3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide?
3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide has a molecular weight of 287.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 11709033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).