1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide

C18H22N2O2 — CID 95934905

IUPAC1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
SMILESO=C(NCC[C@H]1CCCO1)c1cccn1Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c21-18(19-11-10-16-8-5-13-22-16)17-9-4-12-20(17)14-15-6-2-1-3-7-15/h1-4,6-7,9,12,16H,5,8,10-11,13-14H2,(H,19,21)/t16-/m1/s1
InChIKeyLKTYDQOTDXHPFM-MRXNPFEDSA-N
MW298.39 g/mol
LogP2.84
Rot. Bonds6

About 1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide

1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide (PubChem CID 95934905) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
PubChem CID95934905
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
SMILESO=C(NCC[C@H]1CCCO1)c1cccn1Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c21-18(19-11-10-16-8-5-13-22-16)17-9-4-12-20(17)14-15-6-2-1-3-7-15/h1-4,6-7,9,12,16H,5,8,10-11,13-14H2,(H,19,21)/t16-/m1/s1
InChIKeyLKTYDQOTDXHPFM-MRXNPFEDSA-N
XLogP2.84
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 30895160
1-(cyclopropylmethyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]indole-2-carboxamide
CID 124854159
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55554837
N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenylfuran-2-carboxamide
CID 30895473
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 30895093
N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 97053772
N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 95094168
N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 94821980
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 104984102
1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 86936385
2-oxo-N-[2-[(2R)-oxolan-2-yl]ethyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95976361
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide (CID 95934905) is 1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide is O=C(NCC[C@H]1CCCO1)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide?
The InChIKey is LKTYDQOTDXHPFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(19-11-10-16-8-5-13-22-16)17-9-4-12-20(17)14-15-6-2-1-3-7-15/h1-4,6-7,9,12,16H,5,8,10-11,13-14H2,(H,19,21)/t16-/m1/s1.
What are the key properties of 1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide?
1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 95934905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).