methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate

C16H23NO4 — CID 134059038

IUPACmethyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate
SMILESCOCCN(CC(C)C)C(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H23NO4/c1-12(2)11-17(9-10-20-3)15(18)13-5-7-14(8-6-13)16(19)21-4/h5-8,12H,9-11H2,1-4H3
InChIKeyROQULNOZFGCBSQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.22
Rot. Bonds7

About methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate

methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate (PubChem CID 134059038) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate
PubChem CID134059038
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate
SMILESCOCCN(CC(C)C)C(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H23NO4/c1-12(2)11-17(9-10-20-3)15(18)13-5-7-14(8-6-13)16(19)21-4/h5-8,12H,9-11H2,1-4H3
InChIKeyROQULNOZFGCBSQ-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 134062483
3-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 61105605
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998510
N-(2-methoxyethyl)-N-(2-methylpropyl)-6-phenoxypyridine-3-carboxamide
CID 78888942
N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 32954048
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
methyl 4-[bis(2-methylpropyl)carbamothioylamino]benzoate
CID 726370
N-(2-methoxyethyl)-6-(methylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62180313
2-hydrazinyl-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 62511290
6-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 113323490
5-amino-N-(2-methoxyethyl)-2,4-dimethyl-N-(2-methylpropyl)benzamide
CID 102705195

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate (CID 134059038) is methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate is COCCN(CC(C)C)C(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate?
The InChIKey is ROQULNOZFGCBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(2)11-17(9-10-20-3)15(18)13-5-7-14(8-6-13)16(19)21-4/h5-8,12H,9-11H2,1-4H3.
What are the key properties of methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate?
methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate has a molecular weight of 293.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate is sourced from PubChem (CID 134059038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).