2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate

C18H19NO4 — CID 2662475

IUPAC2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate
SMILESCOc1ccc(CCOC(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C18H19NO4/c1-13(20)19-16-5-3-4-15(12-16)18(21)23-11-10-14-6-8-17(22-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyRYESEHFLEMPPSJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.05
Rot. Bonds6

About 2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate

2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate (PubChem CID 2662475) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate
PubChem CID2662475
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate
SMILESCOc1ccc(CCOC(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C18H19NO4/c1-13(20)19-16-5-3-4-15(12-16)18(21)23-11-10-14-6-8-17(22-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyRYESEHFLEMPPSJ-UHFFFAOYSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benorylate
CID 21102
Mepronil
CID 41632
Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
CID 7079
3-Amino-4-methoxybenzanilide
CID 8426
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
VU0357121
CID 2296132
2-((4-Phenoxyanilino)carbonyl)benzoic acid
CID 736198
4'-Methoxy-3-nitrobenzanilide
CID 306529
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
Benzamide, N-(4-ethoxyphenyl)-
CID 203878

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate (CID 2662475) is 2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate is COc1ccc(CCOC(=O)c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate?
The InChIKey is RYESEHFLEMPPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(20)19-16-5-3-4-15(12-16)18(21)23-11-10-14-6-8-17(22-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate?
2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate has a molecular weight of 313.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 3-acetamidobenzoate is sourced from PubChem (CID 2662475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).