2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate

C17H19N3O4 — CID 658408

IUPAC2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate
SMILESCc1ccc(N(O)C(=O)OCCNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H19N3O4/c1-13-7-9-15(10-8-13)20(23)17(22)24-12-11-18-16(21)19-14-5-3-2-4-6-14/h2-10,23H,11-12H2,1H3,(H2,18,19,21)
InChIKeyJYGBNJQQPJBYHN-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.15
Rot. Bonds5

About 2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate

2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate (PubChem CID 658408) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate
PubChem CID658408
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate
SMILESCc1ccc(N(O)C(=O)OCCNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H19N3O4/c1-13-7-9-15(10-8-13)20(23)17(22)24-12-11-18-16(21)19-14-5-3-2-4-6-14/h2-10,23H,11-12H2,1H3,(H2,18,19,21)
InChIKeyJYGBNJQQPJBYHN-UHFFFAOYSA-N
XLogP3.15
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate?
The IUPAC name of 2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate (CID 658408) is 2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate.
What is the SMILES notation for 2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate?
The canonical SMILES for 2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate is Cc1ccc(N(O)C(=O)OCCNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate?
The InChIKey is JYGBNJQQPJBYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-13-7-9-15(10-8-13)20(23)17(22)24-12-11-18-16(21)19-14-5-3-2-4-6-14/h2-10,23H,11-12H2,1H3,(H2,18,19,21).
What are the key properties of 2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate?
2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate has a molecular weight of 329.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoylamino)ethyl N-hydroxy-N-(4-methylphenyl)carbamate is sourced from PubChem (CID 658408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).