2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate

C15H21NO4 — CID 137320760

IUPAC2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
SMILESCN(CCOC(=O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16(4)10-11-19-13(17)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyFCDLSFZIIYVMIQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.71
Rot. Bonds4

About 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate

2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate (PubChem CID 137320760) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate.

Molecular Properties

Compound Name2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
PubChem CID137320760
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
SMILESCN(CCOC(=O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16(4)10-11-19-13(17)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyFCDLSFZIIYVMIQ-UHFFFAOYSA-N
XLogP2.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Amylocaine
CID 10767
Meprylcaine
CID 4065
Amyleine hydrochloride
CID 10766
Benzoylcholine chloride
CID 76298
3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2912528
4-Fluoro-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 24746780
Benzoic acid 2-morpholin-4-yl-ethyl ester
CID 2836419
Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 197768
Elucaine
CID 32331
Amydricaine
CID 12428
Ethanaminium, N,N,N-trimethyl-2-((2-methylbenzoyl)oxy)-, iodide (1:1)
CID 193633
2-Dimethylaminoethyl benzoate
CID 75158

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate?
The IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate (CID 137320760) is 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate.
What is the SMILES notation for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate?
The canonical SMILES for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate is CN(CCOC(=O)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate?
The InChIKey is FCDLSFZIIYVMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16(4)10-11-19-13(17)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3.
What are the key properties of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate?
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate has a molecular weight of 279.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate is sourced from PubChem (CID 137320760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).