N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C21H34N2O2 — CID 5216501

IUPACN-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)CCC(=O)N1CCC1=CCCCC1
InChIInChI=1S/C21H34N2O2/c1-21(20(25)22-18-11-7-2-3-8-12-18)15-13-19(24)23(21)16-14-17-9-5-4-6-10-17/h9,18H,2-8,10-16H2,1H3,(H,22,25)
InChIKeyWDUCNBOQHWUJHK-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.10
Rot. Bonds5

About N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 5216501) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID5216501
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)CCC(=O)N1CCC1=CCCCC1
InChIInChI=1S/C21H34N2O2/c1-21(20(25)22-18-11-7-2-3-8-12-18)15-13-19(24)23(21)16-14-17-9-5-4-6-10-17/h9,18H,2-8,10-16H2,1H3,(H,22,25)
InChIKeyWDUCNBOQHWUJHK-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2S)-2-[(3R)-3-[[(E)-3-cycloheptylprop-2-enyl]amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44307101
1-(2-cyclohex-1-en-1-ylethyl)-N-cyclopentyl-2-methyl-5-oxoprolinamide
CID 3237705
1-[2-(Cyclohex-1-EN-1-YL)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 22429072
(2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 164630881
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 164633651
(2R)-N-[(5Z,7S)-1-(3,3-dimethylbutyl)-6-[(Z)-3-fluoroprop-1-enyl]-5-methyl-1-azacyclododec-5-en-7-yl]-5-oxopyrrolidine-2-carboxamide
CID 143532999
(2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide
CID 120963254
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 4100367
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide
CID 4217997
(2S,4S)-4-amino-1-(cyclohex-1-en-1-ylacetyl)-N-ethylpyrrolidine-2-carboxamide
CID 56712242
(2S,4S)-4-amino-N-ethyl-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidine-2-carboxamide
CID 56714127
N-(3-bicyclo[5.1.0]oct-6-enyl)-2-(2-oxo-3-propylpyrrolidin-1-yl)propanamide
CID 90865727

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 5216501) is N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCCCC2)CCC(=O)N1CCC1=CCCCC1.
What is the InChIKey of N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WDUCNBOQHWUJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-21(20(25)22-18-11-7-2-3-8-12-18)15-13-19(24)23(21)16-14-17-9-5-4-6-10-17/h9,18H,2-8,10-16H2,1H3,(H,22,25).
What are the key properties of N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 5216501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).