N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide

C20H23NO4 — CID 18936962

IUPACN-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide
SMILESCC(C)N(O)C(=O)CCC1C=CC2=C(Cc3ccccc3CO2)C1=O
InChIInChI=1S/C20H23NO4/c1-13(2)21(24)19(22)10-8-14-7-9-18-17(20(14)23)11-15-5-3-4-6-16(15)12-25-18/h3-7,9,13-14,24H,8,10-12H2,1-2H3
InChIKeyOQNOHCQTTMVTKI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.17
Rot. Bonds4

About N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide

N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide (PubChem CID 18936962) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide
PubChem CID18936962
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide
SMILESCC(C)N(O)C(=O)CCC1C=CC2=C(Cc3ccccc3CO2)C1=O
InChIInChI=1S/C20H23NO4/c1-13(2)21(24)19(22)10-8-14-7-9-18-17(20(14)23)11-15-5-3-4-6-16(15)12-25-18/h3-7,9,13-14,24H,8,10-12H2,1-2H3
InChIKeyOQNOHCQTTMVTKI-UHFFFAOYSA-N
XLogP3.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide?
The IUPAC name of N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide (CID 18936962) is N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide is CC(C)N(O)C(=O)CCC1C=CC2=C(Cc3ccccc3CO2)C1=O.
What is the InChIKey of N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide?
The InChIKey is OQNOHCQTTMVTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(2)21(24)19(22)10-8-14-7-9-18-17(20(14)23)11-15-5-3-4-6-16(15)12-25-18/h3-7,9,13-14,24H,8,10-12H2,1-2H3.
What are the key properties of N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide?
N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide has a molecular weight of 341.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(1-oxo-6,11-dihydro-2H-benzo[c][1]benzoxepin-2-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 18936962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).