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

C23H24N2O2 — CID 20889292

IUPAC2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-17-9-6-7-12-20(17)23(27)21-13-8-14-25(21)16-22(26)24-15-18(2)19-10-4-3-5-11-19/h3-14,18H,15-16H2,1-2H3,(H,24,26)
InChIKeyRRCSTMSBKHENRN-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.95
Rot. Bonds7

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

2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide (PubChem CID 20889292) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide
PubChem CID20889292
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-17-9-6-7-12-20(17)23(27)21-13-8-14-25(21)16-22(26)24-15-18(2)19-10-4-3-5-11-19/h3-14,18H,15-16H2,1-2H3,(H,24,26)
InChIKeyRRCSTMSBKHENRN-UHFFFAOYSA-N
XLogP3.95
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 20889293
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-methylpyrrole-2-carboxylate
CID 7228986
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 20889311
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 112695519
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 30635957
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide (CID 20889292) is 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide is Cc1ccccc1C(=O)c1cccn1CC(=O)NCC(C)c1ccccc1.
What is the InChIKey of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide?
The InChIKey is RRCSTMSBKHENRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17-9-6-7-12-20(17)23(27)21-13-8-14-25(21)16-22(26)24-15-18(2)19-10-4-3-5-11-19/h3-14,18H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide?
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-phenylpropyl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.95, 7 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-phenylpropyl)acetamide is sourced from PubChem (CID 20889292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).