N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide

C18H22N2O2 — CID 131930390

IUPACN-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide
SMILESCc1cccc(CN(CC2CCCO2)C(=O)c2cc[nH]c2)c1
InChIInChI=1S/C18H22N2O2/c1-14-4-2-5-15(10-14)12-20(13-17-6-3-9-22-17)18(21)16-7-8-19-11-16/h2,4-5,7-8,10-11,17,19H,3,6,9,12-13H2,1H3
InChIKeyFERMXGGNWRXIIL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.14
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide

N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide (PubChem CID 131930390) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide
PubChem CID131930390
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide
SMILESCc1cccc(CN(CC2CCCO2)C(=O)c2cc[nH]c2)c1
InChIInChI=1S/C18H22N2O2/c1-14-4-2-5-15(10-14)12-20(13-17-6-3-9-22-17)18(21)16-7-8-19-11-16/h2,4-5,7-8,10-11,17,19H,3,6,9,12-13H2,1H3
InChIKeyFERMXGGNWRXIIL-UHFFFAOYSA-N
XLogP3.14
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide
CID 74250697
N-[(3-methoxyphenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 75387976
N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97273224
N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
CID 44779998
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 124843014
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95050157
4,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 86847436
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055429

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide (CID 131930390) is N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide is Cc1cccc(CN(CC2CCCO2)C(=O)c2cc[nH]c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is FERMXGGNWRXIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-4-2-5-15(10-14)12-20(13-17-6-3-9-22-17)18(21)16-7-8-19-11-16/h2,4-5,7-8,10-11,17,19H,3,6,9,12-13H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide?
N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131930390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).