[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate

C18H22N4O4 — CID 27727355

IUPAC[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1cc(C)n(CC(=O)OCC(=O)NC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C18H22N4O4/c1-11-6-5-7-15(14(11)4)19-18(25)20-16(23)10-26-17(24)9-22-13(3)8-12(2)21-22/h5-8H,9-10H2,1-4H3,(H2,19,20,23,25)
InChIKeyVDTYKSXRGSBOJJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.01
Rot. Bonds5

About [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate

[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 27727355) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate
PubChem CID27727355
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1cc(C)n(CC(=O)OCC(=O)NC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C18H22N4O4/c1-11-6-5-7-15(14(11)4)19-18(25)20-16(23)10-26-17(24)9-22-13(3)8-12(2)21-22/h5-8H,9-10H2,1-4H3,(H2,19,20,23,25)
InChIKeyVDTYKSXRGSBOJJ-UHFFFAOYSA-N
XLogP2.01
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9380070
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 9473469
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 9477812
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 27264387
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55999619
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 27213210
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-(4-bromophenyl)-4-oxobutanoate
CID 27236835
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 40721484
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-methoxybenzoate
CID 40762758
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 27272691
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 27238678
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27013138

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate (CID 27727355) is [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate is Cc1cc(C)n(CC(=O)OCC(=O)NC(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is VDTYKSXRGSBOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11-6-5-7-15(14(11)4)19-18(25)20-16(23)10-26-17(24)9-22-13(3)8-12(2)21-22/h5-8H,9-10H2,1-4H3,(H2,19,20,23,25).
What are the key properties of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate?
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 358.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 27727355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).