N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide

C19H27NO2 — CID 154665746

IUPACN-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CC1CCCc1ccccc1
InChIInChI=1S/C19H27NO2/c21-17-11-9-16(10-12-17)20-19(22)18-13-15(18)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-18,21H,4,7-13H2,(H,20,22)
InChIKeyZBFDUMDBYXSXQL-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.07
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide

N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide (PubChem CID 154665746) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide
PubChem CID154665746
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CC1CCCc1ccccc1
InChIInChI=1S/C19H27NO2/c21-17-11-9-16(10-12-17)20-19(22)18-13-15(18)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-18,21H,4,7-13H2,(H,20,22)
InChIKeyZBFDUMDBYXSXQL-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide (CID 154665746) is N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide is O=C(NC1CCC(O)CC1)C1CC1CCCc1ccccc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide?
The InChIKey is ZBFDUMDBYXSXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c21-17-11-9-16(10-12-17)20-19(22)18-13-15(18)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-18,21H,4,7-13H2,(H,20,22).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide?
N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154665746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).