[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate

C15H18N2O4 — CID 8708768

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)cc1C
InChIInChI=1S/C15H18N2O4/c1-9-3-4-11(7-10(9)2)14(19)21-8-13(18)17-15(20)16-12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H2,16,17,18,20)
InChIKeyKOXICJPZQGMVHP-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.45
Rot. Bonds4

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 8708768) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID8708768
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)cc1C
InChIInChI=1S/C15H18N2O4/c1-9-3-4-11(7-10(9)2)14(19)21-8-13(18)17-15(20)16-12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H2,16,17,18,20)
InChIKeyKOXICJPZQGMVHP-UHFFFAOYSA-N
XLogP1.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128602
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate
CID 7838563
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558614
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528590
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010356
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985367
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501182
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7213773
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567304
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 2475790
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 9111860

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate (CID 8708768) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate is Cc1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)cc1C.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is KOXICJPZQGMVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-3-4-11(7-10(9)2)14(19)21-8-13(18)17-15(20)16-12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H2,16,17,18,20).
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate has a molecular weight of 290.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 8708768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).