5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide

C24H29N3O3 — CID 83281983

IUPAC5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
SMILESCCCn1c(C(=O)NCCOC)cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21
InChIInChI=1S/C24H29N3O3/c1-5-11-27-21-9-8-20(26-23(28)18-7-6-16(2)17(3)13-18)14-19(21)15-22(27)24(29)25-10-12-30-4/h6-9,13-15H,5,10-12H2,1-4H3,(H,25,29)(H,26,28)
InChIKeySTHCKXAVHAYQMD-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.30
Rot. Bonds8

About 5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide

5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide (PubChem CID 83281983) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
PubChem CID83281983
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
SMILESCCCn1c(C(=O)NCCOC)cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21
InChIInChI=1S/C24H29N3O3/c1-5-11-27-21-9-8-20(26-23(28)18-7-6-16(2)17(3)13-18)14-19(21)15-22(27)24(29)25-10-12-30-4/h6-9,13-15H,5,10-12H2,1-4H3,(H,25,29)(H,26,28)
InChIKeySTHCKXAVHAYQMD-UHFFFAOYSA-N
XLogP4.30
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide
CID 90488214
2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide
CID 67550244
N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide
CID 83282691
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570
N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide
CID 83288380
5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83276291
1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 83288364
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331
5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
CID 83284031
5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide
CID 91635069
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83287983
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide (CID 83281983) is 5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide is CCCn1c(C(=O)NCCOC)cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21.
What is the InChIKey of 5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide?
The InChIKey is STHCKXAVHAYQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-11-27-21-9-8-20(26-23(28)18-7-6-16(2)17(3)13-18)14-19(21)15-22(27)24(29)25-10-12-30-4/h6-9,13-15H,5,10-12H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of 5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide?
5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide is sourced from PubChem (CID 83281983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).