N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

C20H30N2O3 — CID 119034657

IUPACN-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCN(CC1CC=CCC1)C(=O)C1CC=CCC1C(=O)N1CCOCC1
InChIInChI=1S/C20H30N2O3/c1-21(15-16-7-3-2-4-8-16)19(23)17-9-5-6-10-18(17)20(24)22-11-13-25-14-12-22/h2-3,5-6,16-18H,4,7-15H2,1H3
InChIKeyXVBODAKTOZPMJG-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.24
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 119034657) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID119034657
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCN(CC1CC=CCC1)C(=O)C1CC=CCC1C(=O)N1CCOCC1
InChIInChI=1S/C20H30N2O3/c1-21(15-16-7-3-2-4-8-16)19(23)17-9-5-6-10-18(17)20(24)22-11-13-25-14-12-22/h2-3,5-6,16-18H,4,7-15H2,1H3
InChIKeyXVBODAKTOZPMJG-UHFFFAOYSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.24
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-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (CID 119034657) is N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is CN(CC1CC=CCC1)C(=O)C1CC=CCC1C(=O)N1CCOCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is XVBODAKTOZPMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-21(15-16-7-3-2-4-8-16)19(23)17-9-5-6-10-18(17)20(24)22-11-13-25-14-12-22/h2-3,5-6,16-18H,4,7-15H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 119034657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).