3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide

C22H27N3O — CID 131673733

IUPAC3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)NC(=O)N1CC(C2CN(Cc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C22H27N3O/c1-16(2)23-22(26)25-15-20(19-10-6-7-11-21(19)25)18-13-24(14-18)12-17-8-4-3-5-9-17/h3-11,16,18,20H,12-15H2,1-2H3,(H,23,26)
InChIKeyBUJACWXYICNKMT-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.84
Rot. Bonds4

About 3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide

3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 131673733) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
PubChem CID131673733
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)NC(=O)N1CC(C2CN(Cc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C22H27N3O/c1-16(2)23-22(26)25-15-20(19-10-6-7-11-21(19)25)18-13-24(14-18)12-17-8-4-3-5-9-17/h3-11,16,18,20H,12-15H2,1-2H3,(H,23,26)
InChIKeyBUJACWXYICNKMT-UHFFFAOYSA-N
XLogP3.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-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

(1R,2aS,8bS)-2-benzyl-1-(hydroxymethyl)-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
CID 54653547
methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
CID 110672730
(1R,2aR,8bR)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
CID 54653006
3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide
CID 78889309
2-[(3S,4R)-1-benzyl-4-(2-hydroxyphenyl)pyrrolidin-3-yl]phenol
CID 70345589
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
methyl (3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 126573947
3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide
CID 78892036
methyl (3S,4R)-1-benzyl-4-(2-methylphenyl)pyrrolidine-3-carboxylate
CID 59563644
(3aS,8aR)-2-benzyl-1,3,3a,5,6,7,8,8a-octahydrocyclohepta[c]pyrrol-4-one
CID 98010274
methyl (1R,5R)-3-benzyl-7-oxo-3-azabicyclo[3.2.1]octane-6-carboxylate
CID 164534860
(3aS,10bS)-2-benzyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one
CID 66821521

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide (CID 131673733) is 3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide is CC(C)NC(=O)N1CC(C2CN(Cc3ccccc3)C2)c2ccccc21.
What is the InChIKey of 3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is BUJACWXYICNKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16(2)23-22(26)25-15-20(19-10-6-7-11-21(19)25)18-13-24(14-18)12-17-8-4-3-5-9-17/h3-11,16,18,20H,12-15H2,1-2H3,(H,23,26).
What are the key properties of 3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 131673733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).