[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate

C27H24N2O6 — CID 42984073

IUPAC[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C27H24N2O6/c1-33-22-13-12-18(14-23(22)34-2)27(32)28-15-24(31)35-16-21(30)25-19-10-6-7-11-20(19)29-26(25)17-8-4-3-5-9-17/h3-14,29H,15-16H2,1-2H3,(H,28,32)
InChIKeySCKLIAPSIYYZGL-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.01
Rot. Bonds9

About [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate (PubChem CID 42984073) has the molecular formula C27H24N2O6 and a molecular weight of 472.50 g/mol. Its IUPAC name is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
PubChem CID42984073
Molecular FormulaC27H24N2O6
Molecular Weight472.50 g/mol
Exact Mass472.16
IUPAC Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C27H24N2O6/c1-33-22-13-12-18(14-23(22)34-2)27(32)28-15-24(31)35-16-21(30)25-19-10-6-7-11-20(19)29-26(25)17-8-4-3-5-9-17/h3-14,29H,15-16H2,1-2H3,(H,28,32)
InChIKeySCKLIAPSIYYZGL-UHFFFAOYSA-N
XLogP4.01
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 29461980
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 29461685
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 24558539
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796030
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate
CID 7599864
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682
3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile
CID 7757263
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818951
propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 46526157
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate
CID 7775436
1-benzothiophen-3-ylmethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55885872
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 18208692

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate (CID 42984073) is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1OC.
What is the InChIKey of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The InChIKey is SCKLIAPSIYYZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O6/c1-33-22-13-12-18(14-23(22)34-2)27(32)28-15-24(31)35-16-21(30)25-19-10-6-7-11-20(19)29-26(25)17-8-4-3-5-9-17/h3-14,29H,15-16H2,1-2H3,(H,28,32).
What are the key properties of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate has a molecular weight of 472.50 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 42984073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).