[2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate

C20H16N2O7 — CID 23964198

IUPAC[2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1cccc2cc(C(=O)OCC(=O)Nc3ccccc3C(N)=O)c(=O)oc12
InChIInChI=1S/C20H16N2O7/c1-27-15-8-4-5-11-9-13(20(26)29-17(11)15)19(25)28-10-16(23)22-14-7-3-2-6-12(14)18(21)24/h2-9H,10H2,1H3,(H2,21,24)(H,22,23)
InChIKeyVXWGOSCZIPIFBY-UHFFFAOYSA-N
MW396.36 g/mol
LogP1.70
Rot. Bonds6

About [2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate

[2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate (PubChem CID 23964198) has the molecular formula C20H16N2O7 and a molecular weight of 396.36 g/mol. Its IUPAC name is [2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name[2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
PubChem CID23964198
Molecular FormulaC20H16N2O7
Molecular Weight396.36 g/mol
Exact Mass396.10
IUPAC Name[2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1cccc2cc(C(=O)OCC(=O)Nc3ccccc3C(N)=O)c(=O)oc12
InChIInChI=1S/C20H16N2O7/c1-27-15-8-4-5-11-9-13(20(26)29-17(11)15)19(25)28-10-16(23)22-14-7-3-2-6-12(14)18(21)24/h2-9H,10H2,1H3,(H2,21,24)(H,22,23)
InChIKeyVXWGOSCZIPIFBY-UHFFFAOYSA-N
XLogP1.70
TPSA137.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze [2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate 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-oxo-2-(2,4,6-trimethylanilino)ethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 23937980
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 23799883
[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7395034
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 23856868
8-methoxy-2-oxochromene-3-carboxamide;methylthiourea
CID 21235892
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
[2-(2-acetylanilino)-2-oxoethyl] (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
CID 42042662
[2-(2-carbamoylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890744
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 90580558
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
[2-(2-benzoylanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2365630
[2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7844551

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
The IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate (CID 23964198) is [2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate.
What is the SMILES notation for [2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
The canonical SMILES for [2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate is COc1cccc2cc(C(=O)OCC(=O)Nc3ccccc3C(N)=O)c(=O)oc12.
What is the InChIKey of [2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
The InChIKey is VXWGOSCZIPIFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O7/c1-27-15-8-4-5-11-9-13(20(26)29-17(11)15)19(25)28-10-16(23)22-14-7-3-2-6-12(14)18(21)24/h2-9H,10H2,1H3,(H2,21,24)(H,22,23).
What are the key properties of [2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
[2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate has a molecular weight of 396.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate is sourced from PubChem (CID 23964198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).