[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate

C21H21N3O7 — CID 46531872

IUPAC[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
SMILESCOc1ccc(NC(=O)NC(=O)COC(=O)c2cc3cc(OC)cc(OC)c3[nH]2)cc1
InChIInChI=1S/C21H21N3O7/c1-28-14-6-4-13(5-7-14)22-21(27)24-18(25)11-31-20(26)16-9-12-8-15(29-2)10-17(30-3)19(12)23-16/h4-10,23H,11H2,1-3H3,(H2,22,24,25,27)
InChIKeyHROZTOTWWGWIII-UHFFFAOYSA-N
MW427.41 g/mol
LogP2.70
Rot. Bonds7

About [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate

[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate (PubChem CID 46531872) has the molecular formula C21H21N3O7 and a molecular weight of 427.41 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
PubChem CID46531872
Molecular FormulaC21H21N3O7
Molecular Weight427.41 g/mol
Exact Mass427.14
IUPAC Name[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
SMILESCOc1ccc(NC(=O)NC(=O)COC(=O)c2cc3cc(OC)cc(OC)c3[nH]2)cc1
InChIInChI=1S/C21H21N3O7/c1-28-14-6-4-13(5-7-14)22-21(27)24-18(25)11-31-20(26)16-9-12-8-15(29-2)10-17(30-3)19(12)23-16/h4-10,23H,11H2,1-3H3,(H2,22,24,25,27)
InChIKeyHROZTOTWWGWIII-UHFFFAOYSA-N
XLogP2.70
TPSA127.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46531869
[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543109
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 27269010
5,7-dimethoxy-1H-indole-2-carboxylic acid
CID 7131354
2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328482
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525432
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543094
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 16516847
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 47021775
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 41238915
[1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 42942024
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoate
CID 41407382

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate (CID 46531872) is [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate is COc1ccc(NC(=O)NC(=O)COC(=O)c2cc3cc(OC)cc(OC)c3[nH]2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate?
The InChIKey is HROZTOTWWGWIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O7/c1-28-14-6-4-13(5-7-14)22-21(27)24-18(25)11-31-20(26)16-9-12-8-15(29-2)10-17(30-3)19(12)23-16/h4-10,23H,11H2,1-3H3,(H2,22,24,25,27).
What are the key properties of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate?
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate has a molecular weight of 427.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 46531872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).