methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate

C19H21NO4 — CID 51292630

IUPACmethyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-17-11-9-14(10-12-17)13(2)20-18(21)15-5-7-16(8-6-15)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyUAWOWQXCAGTCNU-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.36
Rot. Bonds6

About methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate

methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate (PubChem CID 51292630) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
PubChem CID51292630
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-17-11-9-14(10-12-17)13(2)20-18(21)15-5-7-16(8-6-15)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyUAWOWQXCAGTCNU-UHFFFAOYSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 55759452
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(4-ethoxyphenyl)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55490961
N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 42928541
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28570144
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28570140
4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate?
The IUPAC name of methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate (CID 51292630) is methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate.
What is the SMILES notation for methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate?
The canonical SMILES for methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate is CCOc1ccc(C(C)NC(=O)c2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate?
The InChIKey is UAWOWQXCAGTCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-24-17-11-9-14(10-12-17)13(2)20-18(21)15-5-7-16(8-6-15)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21).
What are the key properties of methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate?
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate is sourced from PubChem (CID 51292630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).