N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide

C21H24N4O2 — CID 75461838

IUPACN-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide
SMILESO=C(CN1CCc2ccccc21)Nc1ccc(CNC(=O)N2CCC2)cc1
InChIInChI=1S/C21H24N4O2/c26-20(15-25-13-10-17-4-1-2-5-19(17)25)23-18-8-6-16(7-9-18)14-22-21(27)24-11-3-12-24/h1-2,4-9H,3,10-15H2,(H,22,27)(H,23,26)
InChIKeyDWOLYOAMFUSQBI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.60
Rot. Bonds5

About N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide

N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide (PubChem CID 75461838) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide
PubChem CID75461838
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide
SMILESO=C(CN1CCc2ccccc21)Nc1ccc(CNC(=O)N2CCC2)cc1
InChIInChI=1S/C21H24N4O2/c26-20(15-25-13-10-17-4-1-2-5-19(17)25)23-18-8-6-16(7-9-18)14-22-21(27)24-11-3-12-24/h1-2,4-9H,3,10-15H2,(H,22,27)(H,23,26)
InChIKeyDWOLYOAMFUSQBI-UHFFFAOYSA-N
XLogP2.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 54817007
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 154835775
N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4784422
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47389879
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 166219373
2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54810668

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide?
The IUPAC name of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide (CID 75461838) is N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide is O=C(CN1CCc2ccccc21)Nc1ccc(CNC(=O)N2CCC2)cc1.
What is the InChIKey of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide?
The InChIKey is DWOLYOAMFUSQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(15-25-13-10-17-4-1-2-5-19(17)25)23-18-8-6-16(7-9-18)14-22-21(27)24-11-3-12-24/h1-2,4-9H,3,10-15H2,(H,22,27)(H,23,26).
What are the key properties of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide?
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 75461838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).