tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate

C16H23NO4 — CID 138647733

IUPACtert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate
SMILESCOCCN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(19)13-8-6-7-12(11-13)14(18)17(4)9-10-20-5/h6-8,11H,9-10H2,1-5H3
InChIKeySINPGQNVZOLMCN-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.36
Rot. Bonds5

About tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate

tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate (PubChem CID 138647733) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate.

Molecular Properties

Compound Nametert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate
PubChem CID138647733
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate
SMILESCOCCN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(19)13-8-6-7-12(11-13)14(18)17(4)9-10-20-5/h6-8,11H,9-10H2,1-5H3
InChIKeySINPGQNVZOLMCN-UHFFFAOYSA-N
XLogP2.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173
N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
tert-butyl 3-(methylcarbamoyl)benzoate
CID 138647614
N-(2-methoxyethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103764343
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296
tert-butyl 3-[amino(methyl)amino]benzoate
CID 151677747
tert-butyl 3-(ethylamino)benzoate
CID 18375541
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61040721
tert-butyl azulene-5-carboxylate
CID 67371592
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370990

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate?
The IUPAC name of tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate (CID 138647733) is tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate.
What is the SMILES notation for tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate?
The canonical SMILES for tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate is COCCN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate?
The InChIKey is SINPGQNVZOLMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)21-15(19)13-8-6-7-12(11-13)14(18)17(4)9-10-20-5/h6-8,11H,9-10H2,1-5H3.
What are the key properties of tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate?
tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate has a molecular weight of 293.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate is sourced from PubChem (CID 138647733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).