N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide

C21H28N2O — CID 42792369

IUPACN-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide
SMILESCc1ccccc1Cn1c(C)cc(C)c1C(=O)NC1CCCCC1
InChIInChI=1S/C21H28N2O/c1-15-9-7-8-10-18(15)14-23-17(3)13-16(2)20(23)21(24)22-19-11-5-4-6-12-19/h7-10,13,19H,4-6,11-12,14H2,1-3H3,(H,22,24)
InChIKeyDZSXCQSKYUPNDL-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.52
Rot. Bonds4

About N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide

N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 42792369) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide
PubChem CID42792369
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide
SMILESCc1ccccc1Cn1c(C)cc(C)c1C(=O)NC1CCCCC1
InChIInChI=1S/C21H28N2O/c1-15-9-7-8-10-18(15)14-23-17(3)13-16(2)20(23)21(24)22-19-11-5-4-6-12-19/h7-10,13,19H,4-6,11-12,14H2,1-3H3,(H,22,24)
InChIKeyDZSXCQSKYUPNDL-UHFFFAOYSA-N
XLogP4.52
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 4229285
N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
N-cyclopentyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647813
N-cyclopentyl-2-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 17476217
N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30649050
N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109298788
N-cyclopentyl-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5064081
1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135182
1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17384001
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766
N-cyclopentyl-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691228

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide (CID 42792369) is N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide is Cc1ccccc1Cn1c(C)cc(C)c1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is DZSXCQSKYUPNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-15-9-7-8-10-18(15)14-23-17(3)13-16(2)20(23)21(24)22-19-11-5-4-6-12-19/h7-10,13,19H,4-6,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide?
N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 42792369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).