2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide

C21H26N2O2 — CID 20889293

IUPAC2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)NC1CCCCC1C
InChIInChI=1S/C21H26N2O2/c1-15-8-3-5-10-17(15)21(25)19-12-7-13-23(19)14-20(24)22-18-11-6-4-9-16(18)2/h3,5,7-8,10,12-13,16,18H,4,6,9,11,14H2,1-2H3,(H,22,24)
InChIKeyDMRNPSAPLTYCBH-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.72
Rot. Bonds5

About 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide

2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 20889293) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide
PubChem CID20889293
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)NC1CCCCC1C
InChIInChI=1S/C21H26N2O2/c1-15-8-3-5-10-17(15)21(25)19-12-7-13-23(19)14-20(24)22-18-11-6-4-9-16(18)2/h3,5,7-8,10,12-13,16,18H,4,6,9,11,14H2,1-2H3,(H,22,24)
InChIKeyDMRNPSAPLTYCBH-UHFFFAOYSA-N
XLogP3.72
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 47005564
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 20889311
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354452
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 7707000
2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958367
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-methylcyclohexyl)acetamide
CID 108794994
N-[(1R,2S)-2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]cyclopentyl]-2-methylbenzamide
CID 166373121
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
N-(2-methylcyclohexyl)-2-(2-methylindol-1-yl)acetamide
CID 5086759
2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8025550

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide (CID 20889293) is 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide is Cc1ccccc1C(=O)c1cccn1CC(=O)NC1CCCCC1C.
What is the InChIKey of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is DMRNPSAPLTYCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-8-3-5-10-17(15)21(25)19-12-7-13-23(19)14-20(24)22-18-11-6-4-9-16(18)2/h3,5,7-8,10,12-13,16,18H,4,6,9,11,14H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide?
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 20889293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).