2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

C21H29N3O2 — CID 644827

IUPAC2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C21H29N3O2/c1-16-9-11-18(12-10-16)23-21(26)24-15-5-8-19(24)20(25)22-14-13-17-6-3-2-4-7-17/h6,9-12,19H,2-5,7-8,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyCTORSSJQZNSUNI-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.00
Rot. Bonds5

About 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 644827) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID644827
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C21H29N3O2/c1-16-9-11-18(12-10-16)23-21(26)24-15-5-8-19(24)20(25)22-14-13-17-6-3-2-4-7-17/h6,9-12,19H,2-5,7-8,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyCTORSSJQZNSUNI-UHFFFAOYSA-N
XLogP4.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95093805
2-N-(cyclohexylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221241
(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 110753679
(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468668
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792243
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051495
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003181
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
CID 60638654
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108984207

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 644827) is 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)N2CCCC2C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is CTORSSJQZNSUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-9-11-18(12-10-16)23-21(26)24-15-5-8-19(24)20(25)22-14-13-17-6-3-2-4-7-17/h6,9-12,19H,2-5,7-8,13-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 355.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 644827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).