[benzoyl-[(4-methylphenyl)methoxy]amino] acetate

C17H17NO4 — CID 3025742

IUPAC[benzoyl-[(4-methylphenyl)methoxy]amino] acetate
SMILESCC(=O)ON(OCc1ccc(C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-13-8-10-15(11-9-13)12-21-18(22-14(2)19)17(20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3
InChIKeyXJTLBCYOAYUFSH-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.05
Rot. Bonds4

About [benzoyl-[(4-methylphenyl)methoxy]amino] acetate

[benzoyl-[(4-methylphenyl)methoxy]amino] acetate (PubChem CID 3025742) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [benzoyl-[(4-methylphenyl)methoxy]amino] acetate.

Molecular Properties

Compound Name[benzoyl-[(4-methylphenyl)methoxy]amino] acetate
PubChem CID3025742
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[benzoyl-[(4-methylphenyl)methoxy]amino] acetate
SMILESCC(=O)ON(OCc1ccc(C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-13-8-10-15(11-9-13)12-21-18(22-14(2)19)17(20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3
InChIKeyXJTLBCYOAYUFSH-UHFFFAOYSA-N
XLogP3.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 252925
CID 252925
CID 2366824
CID 2366824
CID 4776030
CID 4776030
CID 19582487
CID 19582487
CID 155510762
CID 155510762
CID 155529646
CID 155529646
CID 94873
CID 94873
CID 71306540
CID 71306540
CID 154238
CID 154238
CID 3025962
CID 3025962
CID 44346915
CID 44346915
CID 9227227
CID 9227227

Frequently Asked Questions

What is the IUPAC name of [benzoyl-[(4-methylphenyl)methoxy]amino] acetate?
The IUPAC name of [benzoyl-[(4-methylphenyl)methoxy]amino] acetate (CID 3025742) is [benzoyl-[(4-methylphenyl)methoxy]amino] acetate.
What is the SMILES notation for [benzoyl-[(4-methylphenyl)methoxy]amino] acetate?
The canonical SMILES for [benzoyl-[(4-methylphenyl)methoxy]amino] acetate is CC(=O)ON(OCc1ccc(C)cc1)C(=O)c1ccccc1.
What is the InChIKey of [benzoyl-[(4-methylphenyl)methoxy]amino] acetate?
The InChIKey is XJTLBCYOAYUFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-13-8-10-15(11-9-13)12-21-18(22-14(2)19)17(20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3.
What are the key properties of [benzoyl-[(4-methylphenyl)methoxy]amino] acetate?
[benzoyl-[(4-methylphenyl)methoxy]amino] acetate has a molecular weight of 299.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyl-[(4-methylphenyl)methoxy]amino] acetate is sourced from PubChem (CID 3025742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).