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

C15H21NO4 — CID 22948543

IUPACbutyl 3-[acetyl(methyl)amino]-4-methoxybenzoate
SMILESCCCCOC(=O)c1ccc(OC)c(N(C)C(C)=O)c1
InChIInChI=1S/C15H21NO4/c1-5-6-9-20-15(18)12-7-8-14(19-4)13(10-12)16(3)11(2)17/h7-8,10H,5-6,9H2,1-4H3
InChIKeyFMAMXNOLMNNXAL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.63
Rot. Bonds6

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

butyl 3-[acetyl(methyl)amino]-4-methoxybenzoate (PubChem CID 22948543) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is butyl 3-[acetyl(methyl)amino]-4-methoxybenzoate.

Molecular Properties

Compound Namebutyl 3-[acetyl(methyl)amino]-4-methoxybenzoate
PubChem CID22948543
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namebutyl 3-[acetyl(methyl)amino]-4-methoxybenzoate
SMILESCCCCOC(=O)c1ccc(OC)c(N(C)C(C)=O)c1
InChIInChI=1S/C15H21NO4/c1-5-6-9-20-15(18)12-7-8-14(19-4)13(10-12)16(3)11(2)17/h7-8,10H,5-6,9H2,1-4H3
InChIKeyFMAMXNOLMNNXAL-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-hydroxy-4-methoxybenzoate
CID 79556295
butyl 4-methoxy-3-sulfamoylbenzoate
CID 60724472
hexyl 3-hydroxy-4-methoxybenzoate
CID 3035997
hexyl 3-amino-4-methoxybenzoate
CID 61310261
dodecyl 4-methoxy-3-methylbenzoate
CID 54385488
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
6-methoxyhexyl 3-methoxy-4-pentoxybenzoate
CID 90138665
6-methoxyhexyl 4-hexoxy-3-methoxybenzoate
CID 121336036
hexadecyl 4-amino-3-methoxybenzoate
CID 154161759
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
2-butoxyethyl 3-iodo-4-methoxybenzoate
CID 131886031
6-hydroxyhexyl 3-methoxy-4-pentoxybenzoate
CID 126732916

Frequently Asked Questions

What is the IUPAC name of butyl 3-[acetyl(methyl)amino]-4-methoxybenzoate?
The IUPAC name of butyl 3-[acetyl(methyl)amino]-4-methoxybenzoate (CID 22948543) is butyl 3-[acetyl(methyl)amino]-4-methoxybenzoate.
What is the SMILES notation for butyl 3-[acetyl(methyl)amino]-4-methoxybenzoate?
The canonical SMILES for butyl 3-[acetyl(methyl)amino]-4-methoxybenzoate is CCCCOC(=O)c1ccc(OC)c(N(C)C(C)=O)c1.
What is the InChIKey of butyl 3-[acetyl(methyl)amino]-4-methoxybenzoate?
The InChIKey is FMAMXNOLMNNXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-6-9-20-15(18)12-7-8-14(19-4)13(10-12)16(3)11(2)17/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of butyl 3-[acetyl(methyl)amino]-4-methoxybenzoate?
butyl 3-[acetyl(methyl)amino]-4-methoxybenzoate has a molecular weight of 279.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[acetyl(methyl)amino]-4-methoxybenzoate is sourced from PubChem (CID 22948543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).