N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide

C25H21N3O4 — CID 5098973

IUPACN-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide
SMILESO=C(Cc1cc2ccccc2[nH]1)NC(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C25H21N3O4/c29-23(14-19-12-17-8-4-5-9-20(17)26-19)28-24(16-6-2-1-3-7-16)25(30)27-18-10-11-21-22(13-18)32-15-31-21/h1-13,24,26H,14-15H2,(H,27,30)(H,28,29)
InChIKeyQGYFQKVCSHWDII-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.94
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide

N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide (PubChem CID 5098973) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide
PubChem CID5098973
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide
SMILESO=C(Cc1cc2ccccc2[nH]1)NC(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C25H21N3O4/c29-23(14-19-12-17-8-4-5-9-20(17)26-19)28-24(16-6-2-1-3-7-16)25(30)27-18-10-11-21-22(13-18)32-15-31-21/h1-13,24,26H,14-15H2,(H,27,30)(H,28,29)
InChIKeyQGYFQKVCSHWDII-UHFFFAOYSA-N
XLogP3.94
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
CID 8700986
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 8934021
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-methylphenyl)-2-phenylacetamide
CID 2565303
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
CID 60603738
(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 2412890
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40791076
N-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylpropanamide
CID 107021832
(2R)-N-(1,3-benzodioxol-5-yl)-2-(dibenzylamino)-2-phenylacetamide
CID 94233315
N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 4789688
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2471699
N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide
CID 109010719

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide (CID 5098973) is N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide is O=C(Cc1cc2ccccc2[nH]1)NC(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide?
The InChIKey is QGYFQKVCSHWDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c29-23(14-19-12-17-8-4-5-9-20(17)26-19)28-24(16-6-2-1-3-7-16)25(30)27-18-10-11-21-22(13-18)32-15-31-21/h1-13,24,26H,14-15H2,(H,27,30)(H,28,29).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide?
N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide has a molecular weight of 427.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-2-yl)acetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 5098973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).