N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide

C18H20N2O5 — CID 164624269

IUPACN-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)NO)cc1NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H20N2O5/c1-11(2)25-14-7-4-12(5-8-14)17(21)19-15-10-13(18(22)20-23)6-9-16(15)24-3/h4-11,23H,1-3H3,(H,19,21)(H,20,22)
InChIKeyXCRRMDGVURVBFB-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.85
Rot. Bonds6

About N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide

N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide (PubChem CID 164624269) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide
PubChem CID164624269
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)NO)cc1NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H20N2O5/c1-11(2)25-14-7-4-12(5-8-14)17(21)19-15-10-13(18(22)20-23)6-9-16(15)24-3/h4-11,23H,1-3H3,(H,19,21)(H,20,22)
InChIKeyXCRRMDGVURVBFB-UHFFFAOYSA-N
XLogP2.85
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide?
The IUPAC name of N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide (CID 164624269) is N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide.
What is the SMILES notation for N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide?
The canonical SMILES for N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide is COc1ccc(C(=O)NO)cc1NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide?
The InChIKey is XCRRMDGVURVBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11(2)25-14-7-4-12(5-8-14)17(21)19-15-10-13(18(22)20-23)6-9-16(15)24-3/h4-11,23H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide?
N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide has a molecular weight of 344.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methoxy-3-[(4-propan-2-yloxybenzoyl)amino]benzamide is sourced from PubChem (CID 164624269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).