1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide

C20H29N3O2 — CID 3219738

IUPAC1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H29N3O2/c1-15-9-11-16(12-10-15)14-21-19(24)18-8-5-13-23(18)20(25)22-17-6-3-2-4-7-17/h9-12,17-18H,2-8,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyYDADXLHUFOFQBL-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.12
Rot. Bonds4

About 1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide

1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3219738) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3219738
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H29N3O2/c1-15-9-11-16(12-10-15)14-21-19(24)18-8-5-13-23(18)20(25)22-17-6-3-2-4-7-17/h9-12,17-18H,2-8,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyYDADXLHUFOFQBL-UHFFFAOYSA-N
XLogP3.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468489
(2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1443493
(2S)-1-N-cyclohexyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468475
(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945749
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
2-N-(cyclohexylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221241
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792243
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 3219738) is 1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide is Cc1ccc(CNC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is YDADXLHUFOFQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-9-11-16(12-10-15)14-21-19(24)18-8-5-13-23(18)20(25)22-17-6-3-2-4-7-17/h9-12,17-18H,2-8,13-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).