N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide

C18H18N2O2 — CID 39977666

IUPACN-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C18H18N2O2/c21-18(19-11-13-5-3-9-22-13)17-10-15-14-6-2-1-4-12(14)7-8-16(15)20-17/h1-2,4,6-8,10,13,20H,3,5,9,11H2,(H,19,21)/t13-/m1/s1
InChIKeyLNWXGPXCOXVIMV-CYBMUJFWSA-N
MW294.35 g/mol
LogP3.23
Rot. Bonds3

About N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide (PubChem CID 39977666) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
PubChem CID39977666
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C18H18N2O2/c21-18(19-11-13-5-3-9-22-13)17-10-15-14-6-2-1-4-12(14)7-8-16(15)20-17/h1-2,4,6-8,10,13,20H,3,5,9,11H2,(H,19,21)/t13-/m1/s1
InChIKeyLNWXGPXCOXVIMV-CYBMUJFWSA-N
XLogP3.23
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 39977668
N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 3383149
4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 46521932
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849434
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 94811143
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide (CID 39977666) is N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide is O=C(NC[C@H]1CCCO1)c1cc2c(ccc3ccccc32)[nH]1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide?
The InChIKey is LNWXGPXCOXVIMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-18(19-11-13-5-3-9-22-13)17-10-15-14-6-2-1-4-12(14)7-8-16(15)20-17/h1-2,4,6-8,10,13,20H,3,5,9,11H2,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide is sourced from PubChem (CID 39977666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).