N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide

C27H25N3O4 — CID 3882044

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
SMILESCN(C(=O)Cc1c[nH]c2ccccc12)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C27H25N3O4/c1-30(25(31)15-19-17-28-22-10-6-5-9-21(19)22)26(18-7-3-2-4-8-18)27(32)29-20-11-12-23-24(16-20)34-14-13-33-23/h2-12,16-17,26,28H,13-15H2,1H3,(H,29,32)
InChIKeyBCMKWEVNVAROLU-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.32
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide (PubChem CID 3882044) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
PubChem CID3882044
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
SMILESCN(C(=O)Cc1c[nH]c2ccccc12)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C27H25N3O4/c1-30(25(31)15-19-17-28-22-10-6-5-9-21(19)22)26(18-7-3-2-4-8-18)27(32)29-20-11-12-23-24(16-20)34-14-13-33-23/h2-12,16-17,26,28H,13-15H2,1H3,(H,29,32)
InChIKeyBCMKWEVNVAROLU-UHFFFAOYSA-N
XLogP4.32
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide 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

2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 160994756
(2S)-N-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
CID 90661442
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide
CID 4695262
2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 143794395
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide
CID 110752269
N-[(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide
CID 7044138
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide
CID 27833488
(2S)-2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide
CID 94233312
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7888971
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665017
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
2-[1,3-benzodioxol-5-yl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-phenylacetamide
CID 3190705

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide (CID 3882044) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide is CN(C(=O)Cc1c[nH]c2ccccc12)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide?
The InChIKey is BCMKWEVNVAROLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-30(25(31)15-19-17-28-22-10-6-5-9-21(19)22)26(18-7-3-2-4-8-18)27(32)29-20-11-12-23-24(16-20)34-14-13-33-23/h2-12,16-17,26,28H,13-15H2,1H3,(H,29,32).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide has a molecular weight of 455.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide is sourced from PubChem (CID 3882044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).