4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide

C18H20N2O3 — CID 3840272

IUPAC4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1C(=O)c1c[nH]c(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H20N2O3/c1-12-5-2-3-7-15(12)17(21)13-9-16(19-10-13)18(22)20-11-14-6-4-8-23-14/h2-3,5,7,9-10,14,19H,4,6,8,11H2,1H3,(H,20,22)
InChIKeyBRNSTQBPNYQXDP-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.46
Rot. Bonds5

About 4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 3840272) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID3840272
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1C(=O)c1c[nH]c(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H20N2O3/c1-12-5-2-3-7-15(12)17(21)13-9-16(19-10-13)18(22)20-11-14-6-4-8-23-14/h2-3,5,7,9-10,14,19H,4,6,8,11H2,1H3,(H,20,22)
InChIKeyBRNSTQBPNYQXDP-UHFFFAOYSA-N
XLogP2.46
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-bromophenyl)-7-methyl-2,3-dihydrooxepine-6-carbonyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 143434160
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19510216
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 93144997
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide
CID 27260765

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 3840272) is 4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is Cc1ccccc1C(=O)c1c[nH]c(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is BRNSTQBPNYQXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-5-2-3-7-15(12)17(21)13-9-16(19-10-13)18(22)20-11-14-6-4-8-23-14/h2-3,5,7,9-10,14,19H,4,6,8,11H2,1H3,(H,20,22).
What are the key properties of 4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3840272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).