[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate

C20H18N2O5 — CID 7193555

IUPAC[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C20H18N2O5/c1-12-7-8-15(13(2)9-12)21-20(25)22-18(23)11-26-19(24)17-10-14-5-3-4-6-16(14)27-17/h3-10H,11H2,1-2H3,(H2,21,22,23,25)
InChIKeyZHZJVFWAWSQNIB-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.55
Rot. Bonds4

About [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 7193555) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID7193555
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C20H18N2O5/c1-12-7-8-15(13(2)9-12)21-20(25)22-18(23)11-26-19(24)17-10-14-5-3-4-6-16(14)27-17/h3-10H,11H2,1-2H3,(H2,21,22,23,25)
InChIKeyZHZJVFWAWSQNIB-UHFFFAOYSA-N
XLogP3.55
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 7747785
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
CID 2509396
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8631752
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-bromobenzoate
CID 2625552
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate
CID 2523545
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-nitrobenzoate
CID 2619259
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527827
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7578048
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768483
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233751
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706651

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 7193555) is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate is Cc1ccc(NC(=O)NC(=O)COC(=O)c2cc3ccccc3o2)c(C)c1.
What is the InChIKey of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is ZHZJVFWAWSQNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-7-8-15(13(2)9-12)21-20(25)22-18(23)11-26-19(24)17-10-14-5-3-4-6-16(14)27-17/h3-10H,11H2,1-2H3,(H2,21,22,23,25).
What are the key properties of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).