4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide

C18H24N2O3 — CID 109146802

IUPAC4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(19-16-4-2-1-3-5-16)14-6-8-15(9-7-14)18(22)20-10-12-23-13-11-20/h1-5,14-15H,6-13H2,(H,19,21)
InChIKeyBAUFTQBWFCSGBV-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.29
Rot. Bonds3

About 4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide

4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide (PubChem CID 109146802) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
PubChem CID109146802
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(19-16-4-2-1-3-5-16)14-6-8-15(9-7-14)18(22)20-10-12-23-13-11-20/h1-5,14-15H,6-13H2,(H,19,21)
InChIKeyBAUFTQBWFCSGBV-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide (CID 109146802) is 4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide is O=C(Nc1ccccc1)C1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide?
The InChIKey is BAUFTQBWFCSGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(19-16-4-2-1-3-5-16)14-6-8-15(9-7-14)18(22)20-10-12-23-13-11-20/h1-5,14-15H,6-13H2,(H,19,21).
What are the key properties of 4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide?
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 109146802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).