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

C17H16N2O5 — CID 2538421

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2ccc(CO)cc2)cc1
InChIInChI=1S/C17H16N2O5/c18-16(22)12-5-7-14(8-6-12)19-15(21)10-24-17(23)13-3-1-11(9-20)2-4-13/h1-8,20H,9-10H2,(H2,18,22)(H,19,21)
InChIKeyIBGXTDXGGBVNEE-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.07
Rot. Bonds6

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

[2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate (PubChem CID 2538421) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
PubChem CID2538421
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2ccc(CO)cc2)cc1
InChIInChI=1S/C17H16N2O5/c18-16(22)12-5-7-14(8-6-12)19-15(21)10-24-17(23)13-3-1-11(9-20)2-4-13/h1-8,20H,9-10H2,(H2,18,22)(H,19,21)
InChIKeyIBGXTDXGGBVNEE-UHFFFAOYSA-N
XLogP1.07
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-tert-butylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541303
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2602039
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524816
[2-(3-acetylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538231
[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7501317
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845504
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-(2-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538290
(2-anilino-2-oxoethyl) 4-iodobenzoate
CID 2505448
4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid
CID 23971573
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate (CID 2538421) is [2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate is NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(CO)cc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The InChIKey is IBGXTDXGGBVNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c18-16(22)12-5-7-14(8-6-12)19-15(21)10-24-17(23)13-3-1-11(9-20)2-4-13/h1-8,20H,9-10H2,(H2,18,22)(H,19,21).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate has a molecular weight of 328.32 g/mol, XLogP of 1.07, 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-(hydroxymethyl)benzoate is sourced from PubChem (CID 2538421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).