methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate

C14H18N2O5 — CID 2998463

IUPACmethyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
SMILESCCNC(=O)NC(=O)C(C)Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H18N2O5/c1-4-15-14(19)16-12(17)9(2)21-11-7-5-10(6-8-11)13(18)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,19)
InChIKeyREXIMSOBWBVAFG-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.09
Rot. Bonds5

About methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate

methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 2998463) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
PubChem CID2998463
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
SMILESCCNC(=O)NC(=O)C(C)Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H18N2O5/c1-4-15-14(19)16-12(17)9(2)21-11-7-5-10(6-8-11)13(18)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,19)
InChIKeyREXIMSOBWBVAFG-UHFFFAOYSA-N
XLogP1.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate (CID 2998463) is methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate is CCNC(=O)NC(=O)C(C)Oc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is REXIMSOBWBVAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-4-15-14(19)16-12(17)9(2)21-11-7-5-10(6-8-11)13(18)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,19).
What are the key properties of methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate?
methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 294.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 2998463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).