N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C22H27N3O2 — CID 55787673

IUPACN-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCCCN(C)c3ccccc3)ccc21
InChIInChI=1S/C22H27N3O2/c1-3-21(26)25-15-12-17-16-18(10-11-20(17)25)22(27)23-13-7-14-24(2)19-8-5-4-6-9-19/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,23,27)
InChIKeyVQGWBSPWDAHOEH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.24
Rot. Bonds7

About N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55787673) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID55787673
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCCCN(C)c3ccccc3)ccc21
InChIInChI=1S/C22H27N3O2/c1-3-21(26)25-15-12-17-16-18(10-11-20(17)25)22(27)23-13-7-14-24(2)19-8-5-4-6-9-19/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,23,27)
InChIKeyVQGWBSPWDAHOEH-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 110895331
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55790102
1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55788815
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789985
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46490523

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 55787673) is N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)NCCCN(C)c3ccccc3)ccc21.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is VQGWBSPWDAHOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-21(26)25-15-12-17-16-18(10-11-20(17)25)22(27)23-13-7-14-24(2)19-8-5-4-6-9-19/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55787673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).