1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide

C21H22N2O3 — CID 95100034

IUPAC1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2Cc1ccccc1
InChIInChI=1S/C21H22N2O3/c24-20-12-17-11-16(21(25)22-13-18-7-4-10-26-18)8-9-19(17)23(20)14-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,18H,4,7,10,12-14H2,(H,22,25)/t18-/m1/s1
InChIKeyNWGVLFMZHWUUJM-GOSISDBHSA-N
MW350.42 g/mol
LogP2.68
Rot. Bonds5

About 1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide

1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide (PubChem CID 95100034) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide
PubChem CID95100034
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2Cc1ccccc1
InChIInChI=1S/C21H22N2O3/c24-20-12-17-11-16(21(25)22-13-18-7-4-10-26-18)8-9-19(17)23(20)14-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,18H,4,7,10,12-14H2,(H,22,25)/t18-/m1/s1
InChIKeyNWGVLFMZHWUUJM-GOSISDBHSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-cyclopropyl-2-oxo-3H-indole-5-carboxamide
CID 53160635
1-benzyl-2-oxo-N-propan-2-yl-3H-indole-5-carboxamide
CID 71840675
3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 50814389
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 70134938
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1071254
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548
1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
CID 71840648
N,1-bis[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840635
5-[(3-fluorophenyl)methyl]-6-oxo-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 3451889
N-[[(2R)-oxolan-2-yl]methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 92745318
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840611

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide?
The IUPAC name of 1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide (CID 95100034) is 1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide?
The canonical SMILES for 1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide is O=C(NC[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide?
The InChIKey is NWGVLFMZHWUUJM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20-12-17-11-16(21(25)22-13-18-7-4-10-26-18)8-9-19(17)23(20)14-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,18H,4,7,10,12-14H2,(H,22,25)/t18-/m1/s1.
What are the key properties of 1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide?
1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide is sourced from PubChem (CID 95100034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).