5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide

C25H24N2O3 — CID 142237610

IUPAC5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)NCc3cc(O)cc(OCc4ccccc4)c3)cc2c1
InChIInChI=1S/C25H24N2O3/c1-2-17-8-9-23-20(10-17)13-24(27-23)25(29)26-15-19-11-21(28)14-22(12-19)30-16-18-6-4-3-5-7-18/h3-14,27-28H,2,15-16H2,1H3,(H,26,29)
InChIKeySOSZIUCDVVZYGG-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.94
Rot. Bonds7

About 5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide

5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 142237610) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID142237610
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)NCc3cc(O)cc(OCc4ccccc4)c3)cc2c1
InChIInChI=1S/C25H24N2O3/c1-2-17-8-9-23-20(10-17)13-24(27-23)25(29)26-15-19-11-21(28)14-22(12-19)30-16-18-6-4-3-5-7-18/h3-14,27-28H,2,15-16H2,1H3,(H,26,29)
InChIKeySOSZIUCDVVZYGG-UHFFFAOYSA-N
XLogP4.94
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 71190441
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one
CID 46950045
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide
CID 145164495
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 112522105
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 142237610) is 5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide is CCc1ccc2[nH]c(C(=O)NCc3cc(O)cc(OCc4ccccc4)c3)cc2c1.
What is the InChIKey of 5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is SOSZIUCDVVZYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-17-8-9-23-20(10-17)13-24(27-23)25(29)26-15-19-11-21(28)14-22(12-19)30-16-18-6-4-3-5-7-18/h3-14,27-28H,2,15-16H2,1H3,(H,26,29).
What are the key properties of 5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide?
5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 142237610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).