N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

C30H39N3O — CID 22521989

IUPACN-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCCCN(CCC)CCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1
InChIInChI=1S/C30H39N3O/c1-3-20-32(21-4-2)22-10-19-31-30(34)25-15-17-27(18-16-25)33-28-14-9-8-13-26(28)23-29(33)24-11-6-5-7-12-24/h5-7,11-12,15-18,23H,3-4,8-10,13-14,19-22H2,1-2H3,(H,31,34)
InChIKeyCTDYPAHSVMLEOY-UHFFFAOYSA-N
MW457.66 g/mol
LogP6.26
Rot. Bonds11

About N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (PubChem CID 22521989) has the molecular formula C30H39N3O and a molecular weight of 457.66 g/mol. Its IUPAC name is N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
PubChem CID22521989
Molecular FormulaC30H39N3O
Molecular Weight457.66 g/mol
Exact Mass457.31
IUPAC NameN-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCCCN(CCC)CCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1
InChIInChI=1S/C30H39N3O/c1-3-20-32(21-4-2)22-10-19-31-30(34)25-15-17-27(18-16-25)33-28-14-9-8-13-26(28)23-29(33)24-11-6-5-7-12-24/h5-7,11-12,15-18,23H,3-4,8-10,13-14,19-22H2,1-2H3,(H,31,34)
InChIKeyCTDYPAHSVMLEOY-UHFFFAOYSA-N
XLogP6.26
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 22521987
4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46272473
4-[2-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl]-N-propylbenzamide
CID 46377327
N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20886155
4-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl]-N-propylbenzamide
CID 46377313
N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20887651
N-[(4-fluorophenyl)methyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 22522080
N-[(1S)-1-phenylethyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 92703985
N-[3-[cyclohexyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908824
4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid
CID 59214556
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone
CID 20886158
N-(2,5-dimethoxyphenyl)-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 46272459

Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The IUPAC name of N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (CID 22521989) is N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.
What is the SMILES notation for N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The canonical SMILES for N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is CCCN(CCC)CCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1.
What is the InChIKey of N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The InChIKey is CTDYPAHSVMLEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O/c1-3-20-32(21-4-2)22-10-19-31-30(34)25-15-17-27(18-16-25)33-28-14-9-8-13-26(28)23-29(33)24-11-6-5-7-12-24/h5-7,11-12,15-18,23H,3-4,8-10,13-14,19-22H2,1-2H3,(H,31,34).
What are the key properties of N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide has a molecular weight of 457.66 g/mol, XLogP of 6.26, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is sourced from PubChem (CID 22521989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).