dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate

C23H37NO4 — CID 91715321

IUPACdodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
SMILESCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-18-28-22(25)19-24(2)23(26)20-14-16-21(27-3)17-15-20/h14-17H,4-13,18-19H2,1-3H3
InChIKeyWVNQTLYFZPIXPV-UHFFFAOYSA-N
MW391.55 g/mol
LogP5.23
Rot. Bonds15

About dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate

dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate (PubChem CID 91715321) has the molecular formula C23H37NO4 and a molecular weight of 391.55 g/mol. Its IUPAC name is dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namedodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
PubChem CID91715321
Molecular FormulaC23H37NO4
Molecular Weight391.55 g/mol
Exact Mass391.27
IUPAC Namedodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
SMILESCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-18-28-22(25)19-24(2)23(26)20-14-16-21(27-3)17-15-20/h14-17H,4-13,18-19H2,1-3H3
InChIKeyWVNQTLYFZPIXPV-UHFFFAOYSA-N
XLogP5.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.55
LogP ≤ 55.23
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

octyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715450
hexyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715049
heptyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716467
decyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716470
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 91711919
pentyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715426
butyl 2-[methyl-(4-methylbenzoyl)amino]acetate
CID 91710677
icosyl 4-methoxybenzoate
CID 71438594
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
pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 91715427

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate?
The IUPAC name of dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate (CID 91715321) is dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate.
What is the SMILES notation for dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate?
The canonical SMILES for dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate is CCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate?
The InChIKey is WVNQTLYFZPIXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-18-28-22(25)19-24(2)23(26)20-14-16-21(27-3)17-15-20/h14-17H,4-13,18-19H2,1-3H3.
What are the key properties of dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate?
dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate has a molecular weight of 391.55 g/mol, XLogP of 5.23, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate is sourced from PubChem (CID 91715321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).