2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide

C26H25N3O3 — CID 4695262

IUPAC2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H25N3O3/c1-29(24(30)16-19-17-27-23-11-7-6-10-22(19)23)25(18-8-4-3-5-9-18)26(31)28-20-12-14-21(32-2)15-13-20/h3-15,17,25,27H,16H2,1-2H3,(H,28,31)
InChIKeyHLUMVPVQHKYOOR-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.56
Rot. Bonds7

About 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide

2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide (PubChem CID 4695262) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide
PubChem CID4695262
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H25N3O3/c1-29(24(30)16-19-17-27-23-11-7-6-10-22(19)23)25(18-8-4-3-5-9-18)26(31)28-20-12-14-21(32-2)15-13-20/h3-15,17,25,27H,16H2,1-2H3,(H,28,31)
InChIKeyHLUMVPVQHKYOOR-UHFFFAOYSA-N
XLogP4.56
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
CID 90661442
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
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-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
CID 3882044
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 24956532
1-(1H-indol-3-ylmethyl)-3-(4-methoxyphenyl)-1-propan-2-ylthiourea
CID 53206704
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-(4-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 7437847
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 2689336
2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46591974
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 55471442
N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
CID 3190749

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide (CID 4695262) is 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide is COc1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide?
The InChIKey is HLUMVPVQHKYOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-29(24(30)16-19-17-27-23-11-7-6-10-22(19)23)25(18-8-4-3-5-9-18)26(31)28-20-12-14-21(32-2)15-13-20/h3-15,17,25,27H,16H2,1-2H3,(H,28,31).
What are the key properties of 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide?
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide has a molecular weight of 427.50 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 4695262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).