N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

C17H26N2O3 — CID 91548444

IUPACN-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCCN(C(=O)C1CC=CCC1C(=O)N1CCOCC1)C1CC1
InChIInChI=1S/C17H26N2O3/c1-2-19(13-7-8-13)17(21)15-6-4-3-5-14(15)16(20)18-9-11-22-12-10-18/h3-4,13-15H,2,5-12H2,1H3
InChIKeyYURHXDOWEWZAKH-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.44
Rot. Bonds4

About N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 91548444) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID91548444
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCCN(C(=O)C1CC=CCC1C(=O)N1CCOCC1)C1CC1
InChIInChI=1S/C17H26N2O3/c1-2-19(13-7-8-13)17(21)15-6-4-3-5-14(15)16(20)18-9-11-22-12-10-18/h3-4,13-15H,2,5-12H2,1H3
InChIKeyYURHXDOWEWZAKH-UHFFFAOYSA-N
XLogP1.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (CID 91548444) is N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is CCN(C(=O)C1CC=CCC1C(=O)N1CCOCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is YURHXDOWEWZAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-19(13-7-8-13)17(21)15-6-4-3-5-14(15)16(20)18-9-11-22-12-10-18/h3-4,13-15H,2,5-12H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 91548444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).