methyl 4-[acetyl(butyl)amino]-3-methylbenzoate

C15H21NO3 — CID 24820704

IUPACmethyl 4-[acetyl(butyl)amino]-3-methylbenzoate
SMILESCCCCN(C(C)=O)c1ccc(C(=O)OC)cc1C
InChIInChI=1S/C15H21NO3/c1-5-6-9-16(12(3)17)14-8-7-13(10-11(14)2)15(18)19-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyKCUUHFINBJGIEZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.93
Rot. Bonds5

About methyl 4-[acetyl(butyl)amino]-3-methylbenzoate

methyl 4-[acetyl(butyl)amino]-3-methylbenzoate (PubChem CID 24820704) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[acetyl(butyl)amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[acetyl(butyl)amino]-3-methylbenzoate
PubChem CID24820704
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-[acetyl(butyl)amino]-3-methylbenzoate
SMILESCCCCN(C(C)=O)c1ccc(C(=O)OC)cc1C
InChIInChI=1S/C15H21NO3/c1-5-6-9-16(12(3)17)14-8-7-13(10-11(14)2)15(18)19-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyKCUUHFINBJGIEZ-UHFFFAOYSA-N
XLogP2.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-3-(dibutylamino)benzoate
CID 82785041
3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide
CID 113124190
methyl 4-methyl-3-pentylbenzoate
CID 142303739
butyl 4-(diethylamino)-3-methylbenzoate
CID 174733278
methyl 3-[[butyl(methyl)amino]methyl]benzoate
CID 78791084
methyl 4-hydroxy-3-methylbenzoate;propane
CID 145380615
methyl 3-[acetyl-[2-oxo-2-(pentylamino)ethyl]amino]-4-chlorobenzoate
CID 113176542
hexane;methyl 4-methylbenzoate
CID 143689226
methyl 3-[acetyl-[2-(propanoylamino)ethyl]amino]-4-chlorobenzoate
CID 113062084
3-(N-acetyl-4-bromo-2-methylanilino)-N-butylpropanamide
CID 113132728
methyl 3-(hexylamino)-4-methylbenzoate
CID 43228580
methyl 4-[[4-[butyl-(2-methylphenyl)carbamoyl]-2-methylphenyl]methylamino]-4-oxobutanoate
CID 142104234

Frequently Asked Questions

What is the IUPAC name of methyl 4-[acetyl(butyl)amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[acetyl(butyl)amino]-3-methylbenzoate (CID 24820704) is methyl 4-[acetyl(butyl)amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[acetyl(butyl)amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[acetyl(butyl)amino]-3-methylbenzoate is CCCCN(C(C)=O)c1ccc(C(=O)OC)cc1C.
What is the InChIKey of methyl 4-[acetyl(butyl)amino]-3-methylbenzoate?
The InChIKey is KCUUHFINBJGIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-6-9-16(12(3)17)14-8-7-13(10-11(14)2)15(18)19-4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of methyl 4-[acetyl(butyl)amino]-3-methylbenzoate?
methyl 4-[acetyl(butyl)amino]-3-methylbenzoate has a molecular weight of 263.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[acetyl(butyl)amino]-3-methylbenzoate is sourced from PubChem (CID 24820704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).