2-propan-2-yloxyethyl 2-(methylamino)benzoate

C13H19NO3 — CID 60643656

IUPAC2-propan-2-yloxyethyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCCOC(C)C
InChIInChI=1S/C13H19NO3/c1-10(2)16-8-9-17-13(15)11-6-4-5-7-12(11)14-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyURKWXDUMUYIKFY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.31
Rot. Bonds6

About 2-propan-2-yloxyethyl 2-(methylamino)benzoate

2-propan-2-yloxyethyl 2-(methylamino)benzoate (PubChem CID 60643656) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-(methylamino)benzoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-(methylamino)benzoate
PubChem CID60643656
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-propan-2-yloxyethyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCCOC(C)C
InChIInChI=1S/C13H19NO3/c1-10(2)16-8-9-17-13(15)11-6-4-5-7-12(11)14-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyURKWXDUMUYIKFY-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodoethyl 2-(methylamino)benzoate
CID 25050917
2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450456
3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate
CID 103403616
2-oxoethyl 2-(methylamino)benzoate
CID 143044559
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7671256
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289420
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(methylamino)benzoate
CID 2542963
phosphanyl 2-(methylamino)benzoate
CID 174258583
2-(2-propan-2-yloxyethylamino)benzamide
CID 141361883
6-azidohexyl 2-(methylamino)benzoate
CID 102394313
2-propan-2-yloxyethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55356954

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2-(methylamino)benzoate?
The IUPAC name of 2-propan-2-yloxyethyl 2-(methylamino)benzoate (CID 60643656) is 2-propan-2-yloxyethyl 2-(methylamino)benzoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-(methylamino)benzoate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl 2-(methylamino)benzoate?
The InChIKey is URKWXDUMUYIKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(2)16-8-9-17-13(15)11-6-4-5-7-12(11)14-3/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 2-propan-2-yloxyethyl 2-(methylamino)benzoate?
2-propan-2-yloxyethyl 2-(methylamino)benzoate has a molecular weight of 237.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2-(methylamino)benzoate is sourced from PubChem (CID 60643656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).