3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide

C28H32N4O — CID 129206273

IUPAC3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide
SMILESCc1c(C)n(CCCN(C)C)c2ccc(Nc3cccc(C(=O)Nc4ccccc4)c3)cc12
InChIInChI=1S/C28H32N4O/c1-20-21(2)32(17-9-16-31(3)4)27-15-14-25(19-26(20)27)29-24-13-8-10-22(18-24)28(33)30-23-11-6-5-7-12-23/h5-8,10-15,18-19,29H,9,16-17H2,1-4H3,(H,30,33)
InChIKeyLZICFKZQLKHEID-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.21
Rot. Bonds8

About 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide

3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide (PubChem CID 129206273) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide
PubChem CID129206273
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide
SMILESCc1c(C)n(CCCN(C)C)c2ccc(Nc3cccc(C(=O)Nc4ccccc4)c3)cc12
InChIInChI=1S/C28H32N4O/c1-20-21(2)32(17-9-16-31(3)4)27-15-14-25(19-26(20)27)29-24-13-8-10-22(18-24)28(33)30-23-11-6-5-7-12-23/h5-8,10-15,18-19,29H,9,16-17H2,1-4H3,(H,30,33)
InChIKeyLZICFKZQLKHEID-UHFFFAOYSA-N
XLogP6.21
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-(3-hydroxy-4-morpholin-4-ylphenyl)benzamide
CID 118703380
[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]amino]phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 118666937
1-benzyl-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2,3-dimethylindole-5-carboxamide
CID 58866413
3-[[2,3-dimethyl-1-[2-methyl-3-[3-methylpentyl(propyl)amino]propyl]indol-5-yl]amino]-N-[4-(4-fluorophenyl)-3,5-dihydroxyphenyl]benzamide;ethane
CID 145192480
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109053413
1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 109053436
N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide
CID 5128643
1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053461
3-benzyl-1-[3-(dimethylamino)propyl]-N-(4-propylphenyl)indole-2-carboxamide
CID 10671386
[4-[2-(1-benzofuran-5-yl)ethyl]piperazin-1-yl]-[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]amino]phenyl]methanone
CID 118666765
3-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501677

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide?
The IUPAC name of 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide (CID 129206273) is 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide.
What is the SMILES notation for 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide?
The canonical SMILES for 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide is Cc1c(C)n(CCCN(C)C)c2ccc(Nc3cccc(C(=O)Nc4ccccc4)c3)cc12.
What is the InChIKey of 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide?
The InChIKey is LZICFKZQLKHEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c1-20-21(2)32(17-9-16-31(3)4)27-15-14-25(19-26(20)27)29-24-13-8-10-22(18-24)28(33)30-23-11-6-5-7-12-23/h5-8,10-15,18-19,29H,9,16-17H2,1-4H3,(H,30,33).
What are the key properties of 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide?
3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide has a molecular weight of 440.59 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide is sourced from PubChem (CID 129206273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).