[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate

C14H18N2O4 — CID 16527951

IUPAC[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H18N2O4/c1-8-5-6-11(7-9(8)2)13(18)20-10(3)12(17)16-14(19)15-4/h5-7,10H,1-4H3,(H2,15,16,17,19)
InChIKeyVVSLRMHLJWQLMT-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.30
Rot. Bonds3

About [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate (PubChem CID 16527951) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
PubChem CID16527951
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H18N2O4/c1-8-5-6-11(7-9(8)2)13(18)20-10(3)12(17)16-14(19)15-4/h5-7,10H,1-4H3,(H2,15,16,17,19)
InChIKeyVVSLRMHLJWQLMT-UHFFFAOYSA-N
XLogP1.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate with MolForge

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Related Compounds

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 46626776
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 7860454
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781123
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535106
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010397
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 16522210
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 16523243
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514628
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751721
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-nitrobenzoate
CID 7834848
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 7290980
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 2563278

Frequently Asked Questions

What is the IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate?
The IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate (CID 16527951) is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate.
What is the SMILES notation for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate?
The canonical SMILES for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate is CNC(=O)NC(=O)C(C)OC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate?
The InChIKey is VVSLRMHLJWQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-5-6-11(7-9(8)2)13(18)20-10(3)12(17)16-14(19)15-4/h5-7,10H,1-4H3,(H2,15,16,17,19).
What are the key properties of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate?
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate has a molecular weight of 278.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate is sourced from PubChem (CID 16527951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).