N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide

C20H30N2O2 — CID 75535580

IUPACN-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCC1CCC(CNC(=O)C2CC=CC2)CC1)C1CC=CC1
InChIInChI=1S/C20H30N2O2/c23-19(17-5-1-2-6-17)21-13-15-9-11-16(12-10-15)14-22-20(24)18-7-3-4-8-18/h1-4,15-18H,5-14H2,(H,21,23)(H,22,24)
InChIKeyKCYMGSPWRAGOEW-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.96
Rot. Bonds6

About N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide

N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 75535580) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide
PubChem CID75535580
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCC1CCC(CNC(=O)C2CC=CC2)CC1)C1CC=CC1
InChIInChI=1S/C20H30N2O2/c23-19(17-5-1-2-6-17)21-13-15-9-11-16(12-10-15)14-22-20(24)18-7-3-4-8-18/h1-4,15-18H,5-14H2,(H,21,23)(H,22,24)
InChIKeyKCYMGSPWRAGOEW-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide (CID 75535580) is N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide is O=C(NCC1CCC(CNC(=O)C2CC=CC2)CC1)C1CC=CC1.
What is the InChIKey of N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is KCYMGSPWRAGOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-19(17-5-1-2-6-17)21-13-15-9-11-16(12-10-15)14-22-20(24)18-7-3-4-8-18/h1-4,15-18H,5-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide?
N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(cyclopent-3-ene-1-carbonylamino)methyl]cyclohexyl]methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 75535580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).