N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide

C18H24N2O5 — CID 155996587

IUPACN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide
SMILESCCOc1cccc2[nH]c(C(=O)N(C)C[C@@H]3COC[C@@H](O)[C@H]3O)cc12
InChIInChI=1S/C18H24N2O5/c1-3-25-16-6-4-5-13-12(16)7-14(19-13)18(23)20(2)8-11-9-24-10-15(21)17(11)22/h4-7,11,15,17,19,21-22H,3,8-10H2,1-2H3/t11-,15-,17+/m1/s1
InChIKeyORXISPDTAUSKGM-JGFGOQIWSA-N
MW348.40 g/mol
LogP1.01
Rot. Bonds5

About N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide

N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 155996587) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID155996587
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide
SMILESCCOc1cccc2[nH]c(C(=O)N(C)C[C@@H]3COC[C@@H](O)[C@H]3O)cc12
InChIInChI=1S/C18H24N2O5/c1-3-25-16-6-4-5-13-12(16)7-14(19-13)18(23)20(2)8-11-9-24-10-15(21)17(11)22/h4-7,11,15,17,19,21-22H,3,8-10H2,1-2H3/t11-,15-,17+/m1/s1
InChIKeyORXISPDTAUSKGM-JGFGOQIWSA-N
XLogP1.01
TPSA95.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide (CID 155996587) is N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide is CCOc1cccc2[nH]c(C(=O)N(C)C[C@@H]3COC[C@@H](O)[C@H]3O)cc12.
What is the InChIKey of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is ORXISPDTAUSKGM-JGFGOQIWSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-3-25-16-6-4-5-13-12(16)7-14(19-13)18(23)20(2)8-11-9-24-10-15(21)17(11)22/h4-7,11,15,17,19,21-22H,3,8-10H2,1-2H3/t11-,15-,17+/m1/s1.
What are the key properties of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide?
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-4-ethoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 155996587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).