N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide

C20H30N2O2 — CID 95635350

IUPACN-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NC[C@H](NC(=O)C1CC=CC1)C1CCCCC1)C1CC=CC1
InChIInChI=1S/C20H30N2O2/c23-19(16-10-4-5-11-16)21-14-18(15-8-2-1-3-9-15)22-20(24)17-12-6-7-13-17/h4-7,15-18H,1-3,8-14H2,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyDJORYXSGIDLYFH-SFHVURJKSA-N
MW330.47 g/mol
LogP3.10
Rot. Bonds6

About N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide

N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide (PubChem CID 95635350) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide
PubChem CID95635350
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NC[C@H](NC(=O)C1CC=CC1)C1CCCCC1)C1CC=CC1
InChIInChI=1S/C20H30N2O2/c23-19(16-10-4-5-11-16)21-14-18(15-8-2-1-3-9-15)22-20(24)17-12-6-7-13-17/h4-7,15-18H,1-3,8-14H2,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyDJORYXSGIDLYFH-SFHVURJKSA-N
XLogP3.10
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 ≤ 53.10
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-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide (CID 95635350) is N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide is O=C(NC[C@H](NC(=O)C1CC=CC1)C1CCCCC1)C1CC=CC1.
What is the InChIKey of N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is DJORYXSGIDLYFH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-19(16-10-4-5-11-16)21-14-18(15-8-2-1-3-9-15)22-20(24)17-12-6-7-13-17/h4-7,15-18H,1-3,8-14H2,(H,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide?
N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 95635350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).