[4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate

C25H25NO5 — CID 1234586

IUPAC[4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Nc2ccc(OC(=O)c3ccc(OCC)cc3)cc2C)cc1
InChIInChI=1S/C25H25NO5/c1-4-29-20-10-6-18(7-11-20)24(27)26-23-15-14-22(16-17(23)3)31-25(28)19-8-12-21(13-9-19)30-5-2/h6-16H,4-5H2,1-3H3,(H,26,27)
InChIKeyNIGNIEQZHBHEFE-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.26
Rot. Bonds8

About [4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate

[4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate (PubChem CID 1234586) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate
PubChem CID1234586
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Nc2ccc(OC(=O)c3ccc(OCC)cc3)cc2C)cc1
InChIInChI=1S/C25H25NO5/c1-4-29-20-10-6-18(7-11-20)24(27)26-23-15-14-22(16-17(23)3)31-25(28)19-8-12-21(13-9-19)30-5-2/h6-16H,4-5H2,1-3H3,(H,26,27)
InChIKeyNIGNIEQZHBHEFE-UHFFFAOYSA-N
XLogP5.26
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 3,4,5-triethoxybenzoate
CID 19181567
[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)benzoyl]amino]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[[4-(8-prop-2-enoyloxyoctoxy)benzoyl]amino]phenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate
CID 158483728
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
CID 60928289
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773
2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid
CID 120524790
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
5-bromo-N-(4-ethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 47312097
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate?
The IUPAC name of [4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate (CID 1234586) is [4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate.
What is the SMILES notation for [4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate?
The canonical SMILES for [4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)Nc2ccc(OC(=O)c3ccc(OCC)cc3)cc2C)cc1.
What is the InChIKey of [4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate?
The InChIKey is NIGNIEQZHBHEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-4-29-20-10-6-18(7-11-20)24(27)26-23-15-14-22(16-17(23)3)31-25(28)19-8-12-21(13-9-19)30-5-2/h6-16H,4-5H2,1-3H3,(H,26,27).
What are the key properties of [4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate?
[4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate has a molecular weight of 419.48 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate is sourced from PubChem (CID 1234586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).