[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

C22H18N2O5 — CID 2602039

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H18N2O5/c23-21(27)16-5-9-18(10-6-16)24-20(26)13-29-22(28)17-3-1-14(2-4-17)15-7-11-19(25)12-8-15/h1-12,25H,13H2,(H2,23,27)(H,24,26)
InChIKeyGZXCKNRZJNLNHM-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.95
Rot. Bonds6

About [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 2602039) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
PubChem CID2602039
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H18N2O5/c23-21(27)16-5-9-18(10-6-16)24-20(26)13-29-22(28)17-3-1-14(2-4-17)15-7-11-19(25)12-8-15/h1-12,25H,13H2,(H2,23,27)(H,24,26)
InChIKeyGZXCKNRZJNLNHM-UHFFFAOYSA-N
XLogP2.95
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133669
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538421
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777347
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 7777348
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133651
(2-anilino-2-oxoethyl) 4-iodobenzoate
CID 2505448
4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid
CID 23971573

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (CID 2602039) is [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is GZXCKNRZJNLNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c23-21(27)16-5-9-18(10-6-16)24-20(26)13-29-22(28)17-3-1-14(2-4-17)15-7-11-19(25)12-8-15/h1-12,25H,13H2,(H2,23,27)(H,24,26).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 390.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 2602039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).