N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide

C28H29N3O4 — CID 90873510

IUPACN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cc4ccccc4[nH]3)cc2)cc1OC
InChIInChI=1S/C28H29N3O4/c1-28(2,17-29-27(33)23-15-18-7-5-6-8-22(18)31-23)20-10-12-21(13-11-20)30-26(32)19-9-14-24(34-3)25(16-19)35-4/h5-16,31H,17H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyBMRSRYYBANPJRJ-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.14
Rot. Bonds8

About N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide

N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide (PubChem CID 90873510) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
PubChem CID90873510
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC NameN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cc4ccccc4[nH]3)cc2)cc1OC
InChIInChI=1S/C28H29N3O4/c1-28(2,17-29-27(33)23-15-18-7-5-6-8-22(18)31-23)20-10-12-21(13-11-20)30-26(32)19-9-14-24(34-3)25(16-19)35-4/h5-16,31H,17H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyBMRSRYYBANPJRJ-UHFFFAOYSA-N
XLogP5.14
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
CID 67545094
3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide
CID 67546780
methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate
CID 86917311
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91425689
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
CID 175265795
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate
CID 174590993
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid
CID 69045462
N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide
CID 25103426
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide (CID 90873510) is N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide is COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cc4ccccc4[nH]3)cc2)cc1OC.
What is the InChIKey of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide?
The InChIKey is BMRSRYYBANPJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-28(2,17-29-27(33)23-15-18-7-5-6-8-22(18)31-23)20-10-12-21(13-11-20)30-26(32)19-9-14-24(34-3)25(16-19)35-4/h5-16,31H,17H2,1-4H3,(H,29,33)(H,30,32).
What are the key properties of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide?
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 5.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 90873510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).