4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide

C20H23N3O2 — CID 53160123

IUPAC4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
SMILESCCCCNC(=O)c1cccc2c1CCN2C(=O)Nc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-2-3-13-21-19(24)17-10-7-11-18-16(17)12-14-23(18)20(25)22-15-8-5-4-6-9-15/h4-11H,2-3,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyRMELJYPIZKDCRP-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.81
Rot. Bonds5

About 4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide

4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide (PubChem CID 53160123) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
PubChem CID53160123
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
SMILESCCCCNC(=O)c1cccc2c1CCN2C(=O)Nc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-2-3-13-21-19(24)17-10-7-11-18-16(17)12-14-23(18)20(25)22-15-8-5-4-6-9-15/h4-11H,2-3,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyRMELJYPIZKDCRP-UHFFFAOYSA-N
XLogP3.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide
CID 53159991
1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160126
4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160167
1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide
CID 53160076
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160081
4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100010
4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100016
2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17195127
4-N-tert-butyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160112
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide
CID 53160128
N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide (CID 53160123) is 4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide is CCCCNC(=O)c1cccc2c1CCN2C(=O)Nc1ccccc1.
What is the InChIKey of 4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide?
The InChIKey is RMELJYPIZKDCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-3-13-21-19(24)17-10-7-11-18-16(17)12-14-23(18)20(25)22-15-8-5-4-6-9-15/h4-11H,2-3,12-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide?
4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide is sourced from PubChem (CID 53160123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).