2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate

C19H23NO3 — CID 158670124

IUPAC2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate
SMILESCC(C)c1ccccc1CONCCOC(=O)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-15(2)18-11-7-6-10-17(18)14-23-20-12-13-22-19(21)16-8-4-3-5-9-16/h3-11,15,20H,12-14H2,1-2H3
InChIKeyIDVPXUFBVNZUDQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.69
Rot. Bonds8

About 2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate

2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate (PubChem CID 158670124) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate.

Molecular Properties

Compound Name2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate
PubChem CID158670124
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate
SMILESCC(C)c1ccccc1CONCCOC(=O)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-15(2)18-11-7-6-10-17(18)14-23-20-12-13-22-19(21)16-8-4-3-5-9-16/h3-11,15,20H,12-14H2,1-2H3
InChIKeyIDVPXUFBVNZUDQ-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)ethyl benzoate
CID 158644589
2-(3-methylbutoxy)ethyl benzoate
CID 140608731
(2-propan-2-ylphenyl)methyl N-methylcarbamate
CID 19987801
[4-methyl-3-[(phenylmethoxyamino)methyl]pentyl] benzoate
CID 175121795
[(2-benzoyloxyethylamino)azaniumyl]azanide
CID 176837320
14-methylpentadecyl benzoate
CID 141181298
4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol
CID 170366214
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
3-benzamidobutyl benzoate
CID 151154190
[4-(2-aminoethylamino)-3-(2-aminoethylcarbamoyl)-4-oxobutyl] benzoate
CID 59422071
2-benzoyloxyethyl benzoate;ethene
CID 67969171

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate?
The IUPAC name of 2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate (CID 158670124) is 2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate.
What is the SMILES notation for 2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate?
The canonical SMILES for 2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate is CC(C)c1ccccc1CONCCOC(=O)c1ccccc1.
What is the InChIKey of 2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate?
The InChIKey is IDVPXUFBVNZUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15(2)18-11-7-6-10-17(18)14-23-20-12-13-22-19(21)16-8-4-3-5-9-16/h3-11,15,20H,12-14H2,1-2H3.
What are the key properties of 2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate?
2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate has a molecular weight of 313.40 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate is sourced from PubChem (CID 158670124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).