5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide

C16H20N2O3 — CID 51496458

IUPAC5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)N[C@@H]3CCCOC3)cc2c1
InChIInChI=1S/C16H20N2O3/c1-2-21-13-5-6-14-11(8-13)9-15(18-14)16(19)17-12-4-3-7-20-10-12/h5-6,8-9,12,18H,2-4,7,10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyJCQLIBALIHQQKI-GFCCVEGCSA-N
MW288.35 g/mol
LogP2.48
Rot. Bonds4

About 5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide

5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide (PubChem CID 51496458) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
PubChem CID51496458
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)N[C@@H]3CCCOC3)cc2c1
InChIInChI=1S/C16H20N2O3/c1-2-21-13-5-6-14-11(8-13)9-15(18-14)16(19)17-12-4-3-7-20-10-12/h5-6,8-9,12,18H,2-4,7,10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyJCQLIBALIHQQKI-GFCCVEGCSA-N
XLogP2.48
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
CID 51497846
N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide
CID 91762188
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate
CID 139270847
5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-N-propyl-1H-indole-2-carboxamide
CID 69282619
3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
CID 51496460
3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 1138164
5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
CID 91289743
3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide
CID 64525648
N-(3-ethoxycyclobutyl)-1H-indole-2-carboxamide
CID 102612122
N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
CID 134034269

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide (CID 51496458) is 5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide is CCOc1ccc2[nH]c(C(=O)N[C@@H]3CCCOC3)cc2c1.
What is the InChIKey of 5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
The InChIKey is JCQLIBALIHQQKI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-21-13-5-6-14-11(8-13)9-15(18-14)16(19)17-12-4-3-7-20-10-12/h5-6,8-9,12,18H,2-4,7,10H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51496458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).