N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide

C24H24N2O5 — CID 10002212

IUPACN-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide
SMILESCOc1cccc(OC)c1C(=O)n1c(C)cc2cc(NC(=O)C3CCC(=O)C3)ccc21
InChIInChI=1S/C24H24N2O5/c1-14-11-16-12-17(25-23(28)15-7-9-18(27)13-15)8-10-19(16)26(14)24(29)22-20(30-2)5-4-6-21(22)31-3/h4-6,8,10-12,15H,7,9,13H2,1-3H3,(H,25,28)
InChIKeyIHNOOUXWDCJULW-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.96
Rot. Bonds5

About N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide

N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide (PubChem CID 10002212) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide
PubChem CID10002212
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide
SMILESCOc1cccc(OC)c1C(=O)n1c(C)cc2cc(NC(=O)C3CCC(=O)C3)ccc21
InChIInChI=1S/C24H24N2O5/c1-14-11-16-12-17(25-23(28)15-7-9-18(27)13-15)8-10-19(16)26(14)24(29)22-20(30-2)5-4-6-21(22)31-3/h4-6,8,10-12,15H,7,9,13H2,1-3H3,(H,25,28)
InChIKeyIHNOOUXWDCJULW-UHFFFAOYSA-N
XLogP3.96
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
CID 129348991
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126029508
N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113008763
1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 126029057
N-(1-ethyl-2-methylindol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 131891608
N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide
CID 170336374
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
N-(3,4-dimethoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680789
(3S)-1-(2-methoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 8762200
(5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95109010
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide?
The IUPAC name of N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide (CID 10002212) is N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide is COc1cccc(OC)c1C(=O)n1c(C)cc2cc(NC(=O)C3CCC(=O)C3)ccc21.
What is the InChIKey of N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide?
The InChIKey is IHNOOUXWDCJULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14-11-16-12-17(25-23(28)15-7-9-18(27)13-15)8-10-19(16)26(14)24(29)22-20(30-2)5-4-6-21(22)31-3/h4-6,8,10-12,15H,7,9,13H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide?
N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethoxybenzoyl)-2-methylindol-5-yl]-3-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 10002212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).