N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide

C20H24N2O2 — CID 53124080

IUPACN-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
SMILESCc1ccc(Cn2cccc2C(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-9-11-16(12-10-15)14-22-13-5-8-18(22)19(23)20(24)21-17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14H2,1H3,(H,21,24)
InChIKeyDPNRFPAWJTVHAC-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.48
Rot. Bonds5

About N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide

N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide (PubChem CID 53124080) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
PubChem CID53124080
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
SMILESCc1ccc(Cn2cccc2C(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-9-11-16(12-10-15)14-22-13-5-8-18(22)19(23)20(24)21-17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14H2,1H3,(H,21,24)
InChIKeyDPNRFPAWJTVHAC-UHFFFAOYSA-N
XLogP3.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124066
2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide
CID 53124150
N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124061
N-(3-chloro-4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124133
N-(2,5-dimethylphenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124203
N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide
CID 82121266
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 94282724
N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide
CID 82121275
[1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 59430754
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The IUPAC name of N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide (CID 53124080) is N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The canonical SMILES for N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide is Cc1ccc(Cn2cccc2C(=O)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The InChIKey is DPNRFPAWJTVHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-9-11-16(12-10-15)14-22-13-5-8-18(22)19(23)20(24)21-17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide has a molecular weight of 324.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide is sourced from PubChem (CID 53124080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).