N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

C24H35N3O — CID 20887651

IUPACN-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCCCCN(C)CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1
InChIInChI=1S/C24H35N3O/c1-4-5-16-26(3)17-8-15-25-24(28)20-11-13-22(14-12-20)27-19(2)18-21-9-6-7-10-23(21)27/h11-14,18H,4-10,15-17H2,1-3H3,(H,25,28)
InChIKeyNQDWASDPLPODGA-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.52
Rot. Bonds9

About N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (PubChem CID 20887651) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
PubChem CID20887651
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC NameN-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCCCCN(C)CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1
InChIInChI=1S/C24H35N3O/c1-4-5-16-26(3)17-8-15-25-24(28)20-11-13-22(14-12-20)27-19(2)18-21-9-6-7-10-23(21)27/h11-14,18H,4-10,15-17H2,1-3H3,(H,25,28)
InChIKeyNQDWASDPLPODGA-UHFFFAOYSA-N
XLogP4.52
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[cyclohexyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908824
N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 22521989
N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908798
4-[2-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl]-N-propylbenzamide
CID 46377327
N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide
CID 142825847
4-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl]-N-propylbenzamide
CID 46377313
N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908802
4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 92689322
N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908801
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
CID 139954581
4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46272473

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The IUPAC name of N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (CID 20887651) is N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.
What is the SMILES notation for N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The canonical SMILES for N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is CCCCN(C)CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1.
What is the InChIKey of N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The InChIKey is NQDWASDPLPODGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-4-5-16-26(3)17-8-15-25-24(28)20-11-13-22(14-12-20)27-19(2)18-21-9-6-7-10-23(21)27/h11-14,18H,4-10,15-17H2,1-3H3,(H,25,28).
What are the key properties of N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide has a molecular weight of 381.56 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is sourced from PubChem (CID 20887651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).