[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate

C20H19N3O4 — CID 27269010

IUPAC[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)c2cc3ccccc3[nH]2)cc1C
InChIInChI=1S/C20H19N3O4/c1-12-7-8-15(9-13(12)2)21-20(26)23-18(24)11-27-19(25)17-10-14-5-3-4-6-16(14)22-17/h3-10,22H,11H2,1-2H3,(H2,21,23,24,26)
InChIKeyNNSDGVWRHXGGJQ-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.29
Rot. Bonds4

About [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate

[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 27269010) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID27269010
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)c2cc3ccccc3[nH]2)cc1C
InChIInChI=1S/C20H19N3O4/c1-12-7-8-15(9-13(12)2)21-20(26)23-18(24)11-27-19(25)17-10-14-5-3-4-6-16(14)22-17/h3-10,22H,11H2,1-2H3,(H2,21,23,24,26)
InChIKeyNNSDGVWRHXGGJQ-UHFFFAOYSA-N
XLogP3.29
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate
CID 4828784
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723461
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7722844
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466038
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723432
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723695
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46531872
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7713498
[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
CID 18081770
(4-acetamidophenyl) 1H-indole-2-carboxylate
CID 51152616

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate (CID 27269010) is [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate is Cc1ccc(NC(=O)NC(=O)COC(=O)c2cc3ccccc3[nH]2)cc1C.
What is the InChIKey of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is NNSDGVWRHXGGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-7-8-15(9-13(12)2)21-20(26)23-18(24)11-27-19(25)17-10-14-5-3-4-6-16(14)22-17/h3-10,22H,11H2,1-2H3,(H2,21,23,24,26).
What are the key properties of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate?
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 27269010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).