N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide

C20H29NO3 — CID 56764310

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide
SMILESO=C(NCC(O)C1CCCCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H29NO3/c22-18(16-7-3-1-4-8-16)15-21-19(23)20(11-13-24-14-12-20)17-9-5-2-6-10-17/h2,5-6,9-10,16,18,22H,1,3-4,7-8,11-15H2,(H,21,23)
InChIKeySKXCGNRYCCYUHU-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.79
Rot. Bonds5

About N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide

N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide (PubChem CID 56764310) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide
PubChem CID56764310
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide
SMILESO=C(NCC(O)C1CCCCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H29NO3/c22-18(16-7-3-1-4-8-16)15-21-19(23)20(11-13-24-14-12-20)17-9-5-2-6-10-17/h2,5-6,9-10,16,18,22H,1,3-4,7-8,11-15H2,(H,21,23)
InChIKeySKXCGNRYCCYUHU-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide (CID 56764310) is N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide is O=C(NCC(O)C1CCCCC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide?
The InChIKey is SKXCGNRYCCYUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c22-18(16-7-3-1-4-8-16)15-21-19(23)20(11-13-24-14-12-20)17-9-5-2-6-10-17/h2,5-6,9-10,16,18,22H,1,3-4,7-8,11-15H2,(H,21,23).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide?
N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 56764310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).