N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide

C18H32N6O4 — CID 71231838

IUPACN-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide
SMILESCC(=O)NC1C=CC(NC(=O)NCCNC(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C18H32N6O4/c1-14(25)22-15-2-4-16(5-3-15)23-18(27)20-7-6-19-17(26)21-8-9-24-10-12-28-13-11-24/h2,4,15-16H,3,5-13H2,1H3,(H,22,25)(H2,19,21,26)(H2,20,23,27)
InChIKeyPNRPUPSMCWHEED-UHFFFAOYSA-N
MW396.49 g/mol
LogP-0.86
Rot. Bonds8

About N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide

N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide (PubChem CID 71231838) has the molecular formula C18H32N6O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide
PubChem CID71231838
Molecular FormulaC18H32N6O4
Molecular Weight396.49 g/mol
Exact Mass396.25
IUPAC NameN-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide
SMILESCC(=O)NC1C=CC(NC(=O)NCCNC(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C18H32N6O4/c1-14(25)22-15-2-4-16(5-3-15)23-18(27)20-7-6-19-17(26)21-8-9-24-10-12-28-13-11-24/h2,4,15-16H,3,5-13H2,1H3,(H,22,25)(H2,19,21,26)(H2,20,23,27)
InChIKeyPNRPUPSMCWHEED-UHFFFAOYSA-N
XLogP-0.86
TPSA123.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 5-0.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide?
The IUPAC name of N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide (CID 71231838) is N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide?
The canonical SMILES for N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide is CC(=O)NC1C=CC(NC(=O)NCCNC(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide?
The InChIKey is PNRPUPSMCWHEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O4/c1-14(25)22-15-2-4-16(5-3-15)23-18(27)20-7-6-19-17(26)21-8-9-24-10-12-28-13-11-24/h2,4,15-16H,3,5-13H2,1H3,(H,22,25)(H2,19,21,26)(H2,20,23,27).
What are the key properties of N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide?
N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide has a molecular weight of 396.49 g/mol, XLogP of -0.86, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-morpholin-4-ylethylcarbamoylamino)ethylcarbamoylamino]cyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 71231838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).