butyl 2-[methyl-(4-methylbenzoyl)amino]acetate

C15H21NO3 — CID 91710677

IUPACbutyl 2-[methyl-(4-methylbenzoyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO3/c1-4-5-10-19-14(17)11-16(3)15(18)13-8-6-12(2)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyLOCYYPZRELJADF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.41
Rot. Bonds6

About butyl 2-[methyl-(4-methylbenzoyl)amino]acetate

butyl 2-[methyl-(4-methylbenzoyl)amino]acetate (PubChem CID 91710677) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is butyl 2-[methyl-(4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[methyl-(4-methylbenzoyl)amino]acetate
PubChem CID91710677
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebutyl 2-[methyl-(4-methylbenzoyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO3/c1-4-5-10-19-14(17)11-16(3)15(18)13-8-6-12(2)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyLOCYYPZRELJADF-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
CID 91715321
heptyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716467
decyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716470
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 91711919
undecyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710673
octyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710670
decyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710672
ethyl 2-[[4-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785152
pentyl 2-[(3-fluorobenzoyl)-methylamino]acetate
CID 91711909
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
pentyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715426
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133

Frequently Asked Questions

What is the IUPAC name of butyl 2-[methyl-(4-methylbenzoyl)amino]acetate?
The IUPAC name of butyl 2-[methyl-(4-methylbenzoyl)amino]acetate (CID 91710677) is butyl 2-[methyl-(4-methylbenzoyl)amino]acetate.
What is the SMILES notation for butyl 2-[methyl-(4-methylbenzoyl)amino]acetate?
The canonical SMILES for butyl 2-[methyl-(4-methylbenzoyl)amino]acetate is CCCCOC(=O)CN(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of butyl 2-[methyl-(4-methylbenzoyl)amino]acetate?
The InChIKey is LOCYYPZRELJADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-5-10-19-14(17)11-16(3)15(18)13-8-6-12(2)7-9-13/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of butyl 2-[methyl-(4-methylbenzoyl)amino]acetate?
butyl 2-[methyl-(4-methylbenzoyl)amino]acetate has a molecular weight of 263.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[methyl-(4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 91710677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).