[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate

C31H34N2O5 — CID 174590894

IUPAC[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3cn(C(C)C)c4ccccc34)cc2)cc1OC
InChIInChI=1S/C31H34N2O5/c1-20(2)33-18-25(24-9-7-8-10-26(24)33)30(35)38-19-31(3,4)22-12-14-23(15-13-22)32-29(34)21-11-16-27(36-5)28(17-21)37-6/h7-18,20H,19H2,1-6H3,(H,32,34)
InChIKeyCUXZYXACVDTZDT-UHFFFAOYSA-N
MW514.62 g/mol
LogP6.63
Rot. Bonds9

About [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate

[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate (PubChem CID 174590894) has the molecular formula C31H34N2O5 and a molecular weight of 514.62 g/mol. Its IUPAC name is [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate.

Molecular Properties

Compound Name[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate
PubChem CID174590894
Molecular FormulaC31H34N2O5
Molecular Weight514.62 g/mol
Exact Mass514.25
IUPAC Name[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3cn(C(C)C)c4ccccc34)cc2)cc1OC
InChIInChI=1S/C31H34N2O5/c1-20(2)33-18-25(24-9-7-8-10-26(24)33)30(35)38-19-31(3,4)22-12-14-23(15-13-22)32-29(34)21-11-16-27(36-5)28(17-21)37-6/h7-18,20H,19H2,1-6H3,(H,32,34)
InChIKeyCUXZYXACVDTZDT-UHFFFAOYSA-N
XLogP6.63
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
CID 175265795
3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate
CID 174590993
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
CID 67545094
[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate
CID 174590959
N-[4-[1-(2-hydroxy-N-propanoylanilino)-2-methylpropan-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 90743630
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide
CID 67546780
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid
CID 69047947
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 112982231

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate?
The IUPAC name of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate (CID 174590894) is [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate.
What is the SMILES notation for [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate?
The canonical SMILES for [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate is COc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3cn(C(C)C)c4ccccc34)cc2)cc1OC.
What is the InChIKey of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate?
The InChIKey is CUXZYXACVDTZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O5/c1-20(2)33-18-25(24-9-7-8-10-26(24)33)30(35)38-19-31(3,4)22-12-14-23(15-13-22)32-29(34)21-11-16-27(36-5)28(17-21)37-6/h7-18,20H,19H2,1-6H3,(H,32,34).
What are the key properties of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate?
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate has a molecular weight of 514.62 g/mol, XLogP of 6.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate is sourced from PubChem (CID 174590894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).