ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate

C15H21NO4 — CID 54785098

IUPACethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C15H21NO4/c1-5-19-14(17)10-16(4)15(18)12-8-6-7-9-13(12)20-11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyCQDJMVRQINRUEK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.11
Rot. Bonds6

About ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate

ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate (PubChem CID 54785098) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
PubChem CID54785098
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C15H21NO4/c1-5-19-14(17)10-16(4)15(18)12-8-6-7-9-13(12)20-11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyCQDJMVRQINRUEK-UHFFFAOYSA-N
XLogP2.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785153
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
CID 21463059
1-[2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236371
ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate
CID 113371239
pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 91715427
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl 2-[[2-(3,5-ditert-butyl-4-hydroxybenzoyl)benzoyl]-methylamino]acetate
CID 19090544
ethyl 2-[2-(2-butan-2-ylphenoxy)propanoyl-methylamino]acetate
CID 54785154

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate (CID 54785098) is ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate is CCOC(=O)CN(C)C(=O)c1ccccc1OC(C)C.
What is the InChIKey of ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate?
The InChIKey is CQDJMVRQINRUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-19-14(17)10-16(4)15(18)12-8-6-7-9-13(12)20-11(2)3/h6-9,11H,5,10H2,1-4H3.
What are the key properties of ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate?
ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate has a molecular weight of 279.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate is sourced from PubChem (CID 54785098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).