4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide

C20H32N4O4 — CID 123165773

IUPAC4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide
SMILESCCNC(=O)C1CC(CCNC(=O)C2CCCCC2C(N)=O)=CCC1C(N)=O
InChIInChI=1S/C20H32N4O4/c1-2-23-20(28)16-11-12(7-8-14(16)18(22)26)9-10-24-19(27)15-6-4-3-5-13(15)17(21)25/h7,13-16H,2-6,8-11H2,1H3,(H2,21,25)(H2,22,26)(H,23,28)(H,24,27)
InChIKeySZSRDHXVSDAHSX-UHFFFAOYSA-N
MW392.50 g/mol
LogP0.36
Rot. Bonds8

About 4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide

4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide (PubChem CID 123165773) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide
PubChem CID123165773
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide
SMILESCCNC(=O)C1CC(CCNC(=O)C2CCCCC2C(N)=O)=CCC1C(N)=O
InChIInChI=1S/C20H32N4O4/c1-2-23-20(28)16-11-12(7-8-14(16)18(22)26)9-10-24-19(27)15-6-4-3-5-13(15)17(21)25/h7,13-16H,2-6,8-11H2,1H3,(H2,21,25)(H2,22,26)(H,23,28)(H,24,27)
InChIKeySZSRDHXVSDAHSX-UHFFFAOYSA-N
XLogP0.36
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of 4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide (CID 123165773) is 4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for 4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for 4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide is CCNC(=O)C1CC(CCNC(=O)C2CCCCC2C(N)=O)=CCC1C(N)=O.
What is the InChIKey of 4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is SZSRDHXVSDAHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-2-23-20(28)16-11-12(7-8-14(16)18(22)26)9-10-24-19(27)15-6-4-3-5-13(15)17(21)25/h7,13-16H,2-6,8-11H2,1H3,(H2,21,25)(H2,22,26)(H,23,28)(H,24,27).
What are the key properties of 4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide?
4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 392.50 g/mol, XLogP of 0.36, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-carbamoylcyclohexanecarbonyl)amino]ethyl]-2-N-ethylcyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 123165773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).