4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide

C20H19N3O2 — CID 58694115

IUPAC4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide
SMILESCCn1c(-c2ccc(C(=O)NC)cc2)c(C#N)c2cc(OC)ccc21
InChIInChI=1S/C20H19N3O2/c1-4-23-18-10-9-15(25-3)11-16(18)17(12-21)19(23)13-5-7-14(8-6-13)20(24)22-2/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyGSDJUYQFDQMMRT-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.57
Rot. Bonds4

About 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide

4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide (PubChem CID 58694115) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide
PubChem CID58694115
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide
SMILESCCn1c(-c2ccc(C(=O)NC)cc2)c(C#N)c2cc(OC)ccc21
InChIInChI=1S/C20H19N3O2/c1-4-23-18-10-9-15(25-3)11-16(18)17(12-21)19(23)13-5-7-14(8-6-13)20(24)22-2/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyGSDJUYQFDQMMRT-UHFFFAOYSA-N
XLogP3.57
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
CID 70859124
2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile
CID 58694355
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile
CID 58694518
ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 58694496
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
CID 22689252
1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 58694031
2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
CID 161219908
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea
CID 59425419
2-[4-(azetidine-1-carbonyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile
CID 143185147

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide?
The IUPAC name of 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide (CID 58694115) is 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide is CCn1c(-c2ccc(C(=O)NC)cc2)c(C#N)c2cc(OC)ccc21.
What is the InChIKey of 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide?
The InChIKey is GSDJUYQFDQMMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-4-23-18-10-9-15(25-3)11-16(18)17(12-21)19(23)13-5-7-14(8-6-13)20(24)22-2/h5-11H,4H2,1-3H3,(H,22,24).
What are the key properties of 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide?
4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide is sourced from PubChem (CID 58694115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).