1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide

C21H24N2O2 — CID 110501729

IUPAC1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1ccccc1OC)n2CC
InChIInChI=1S/C21H24N2O2/c1-5-15-11-12-18-16(13-15)14(3)20(23(18)6-2)21(24)22-17-9-7-8-10-19(17)25-4/h7-13H,5-6H2,1-4H3,(H,22,24)
InChIKeyRTRICACLKTVCDE-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.79
Rot. Bonds5

About 1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide

1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide (PubChem CID 110501729) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide
PubChem CID110501729
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1ccccc1OC)n2CC
InChIInChI=1S/C21H24N2O2/c1-5-15-11-12-18-16(13-15)14(3)20(23(18)6-2)21(24)22-17-9-7-8-10-19(17)25-4/h7-13H,5-6H2,1-4H3,(H,22,24)
InChIKeyRTRICACLKTVCDE-UHFFFAOYSA-N
XLogP4.79
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501681
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501763
1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501721
N-(2,4-dimethylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501710
N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501716
5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide
CID 110502299
ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501627
3-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501677
1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide
CID 110501801
1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide
CID 110497470
5-chloro-4-[(1-ethyl-3-methylindole-2-carbonyl)amino]-2-methoxybenzoic acid
CID 110501497
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497523

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide?
The IUPAC name of 1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide (CID 110501729) is 1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide.
What is the SMILES notation for 1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide?
The canonical SMILES for 1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide is CCc1ccc2c(c1)c(C)c(C(=O)Nc1ccccc1OC)n2CC.
What is the InChIKey of 1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide?
The InChIKey is RTRICACLKTVCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-5-15-11-12-18-16(13-15)14(3)20(23(18)6-2)21(24)22-17-9-7-8-10-19(17)25-4/h7-13H,5-6H2,1-4H3,(H,22,24).
What are the key properties of 1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide?
1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide is sourced from PubChem (CID 110501729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).