ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate

C16H23NO4 — CID 68814471

IUPACethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate
SMILESCCCN(C)C(=O)c1cc(COC)cc(C(=O)OCC)c1
InChIInChI=1S/C16H23NO4/c1-5-7-17(3)15(18)13-8-12(11-20-4)9-14(10-13)16(19)21-6-2/h8-10H,5-7,11H2,1-4H3
InChIKeySBVSXZJPCKOCPY-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.49
Rot. Bonds7

About ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate

ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate (PubChem CID 68814471) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate.

Molecular Properties

Compound Nameethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate
PubChem CID68814471
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate
SMILESCCCN(C)C(=O)c1cc(COC)cc(C(=O)OCC)c1
InChIInChI=1S/C16H23NO4/c1-5-7-17(3)15(18)13-8-12(11-20-4)9-14(10-13)16(19)21-6-2/h8-10H,5-7,11H2,1-4H3
InChIKeySBVSXZJPCKOCPY-UHFFFAOYSA-N
XLogP2.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide
CID 65387565
3-ethoxycarbonyl-5-(methoxymethyl)benzoic acid
CID 69129941
ethyl 3-(2,2-difluoroethenyl)-5-[methyl(propyl)carbamoyl]benzoate
CID 68814519
ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate
CID 21086103
diethyl 5-(butan-2-ylcarbamoyl)benzene-1,3-dicarboxylate;3-ethoxycarbonyl-5-[methyl(propyl)carbamoyl]benzoic acid
CID 69345286
ethyl 3-cyano-5-(methoxymethyl)benzoate
CID 22996220
ethyl 3-[methyl(propyl)carbamoyl]-5-(2-methylpyrrolidine-1-carbonyl)benzoate
CID 68817196
diethyl 5-(ethylperoxymethyl)benzene-1,3-dicarboxylate
CID 59899867
ethyl 3-(cyanomethyl)-5-(dimethylcarbamoyl)benzoate
CID 58966763
3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride
CID 65372783
ethyl 3,5-bis(aminomethyl)benzoate
CID 174906778
ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate
CID 68814460

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate?
The IUPAC name of ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate (CID 68814471) is ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate.
What is the SMILES notation for ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate?
The canonical SMILES for ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate is CCCN(C)C(=O)c1cc(COC)cc(C(=O)OCC)c1.
What is the InChIKey of ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate?
The InChIKey is SBVSXZJPCKOCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-7-17(3)15(18)13-8-12(11-20-4)9-14(10-13)16(19)21-6-2/h8-10H,5-7,11H2,1-4H3.
What are the key properties of ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate?
ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate has a molecular weight of 293.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate is sourced from PubChem (CID 68814471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).