ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate

C18H19NO3 — CID 17066429

IUPACethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H19NO3/c1-4-22-18(21)14-6-5-7-16(11-14)19-17(20)15-9-12(2)8-13(3)10-15/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyYMJDLOCPZHVWIU-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.73
Rot. Bonds4

About ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate

ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate (PubChem CID 17066429) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
PubChem CID17066429
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H19NO3/c1-4-22-18(21)14-6-5-7-16(11-14)19-17(20)15-9-12(2)8-13(3)10-15/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyYMJDLOCPZHVWIU-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
ethyl 3-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78949117
ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
CID 5194656
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate (CID 17066429) is ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate?
The InChIKey is YMJDLOCPZHVWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-4-22-18(21)14-6-5-7-16(11-14)19-17(20)15-9-12(2)8-13(3)10-15/h5-11H,4H2,1-3H3,(H,19,20).
What are the key properties of ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate?
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate is sourced from PubChem (CID 17066429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).