octyl 2-[(3-methoxybenzoyl)-methylamino]acetate

C19H29NO4 — CID 91715450

IUPACoctyl 2-[(3-methoxybenzoyl)-methylamino]acetate
SMILESCCCCCCCCOC(=O)CN(C)C(=O)c1cccc(OC)c1
InChIInChI=1S/C19H29NO4/c1-4-5-6-7-8-9-13-24-18(21)15-20(2)19(22)16-11-10-12-17(14-16)23-3/h10-12,14H,4-9,13,15H2,1-3H3
InChIKeyGIVSFMIOSANQBE-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.67
Rot. Bonds11

About octyl 2-[(3-methoxybenzoyl)-methylamino]acetate

octyl 2-[(3-methoxybenzoyl)-methylamino]acetate (PubChem CID 91715450) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is octyl 2-[(3-methoxybenzoyl)-methylamino]acetate.

Molecular Properties

Compound Nameoctyl 2-[(3-methoxybenzoyl)-methylamino]acetate
PubChem CID91715450
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nameoctyl 2-[(3-methoxybenzoyl)-methylamino]acetate
SMILESCCCCCCCCOC(=O)CN(C)C(=O)c1cccc(OC)c1
InChIInChI=1S/C19H29NO4/c1-4-5-6-7-8-9-13-24-18(21)15-20(2)19(22)16-11-10-12-17(14-16)23-3/h10-12,14H,4-9,13,15H2,1-3H3
InChIKeyGIVSFMIOSANQBE-UHFFFAOYSA-N
XLogP3.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.67
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

hexyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715049
pentyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715426
dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
CID 91715321
octyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710670
undecyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710673
decyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710672
pentyl 2-[(3-fluorobenzoyl)-methylamino]acetate
CID 91711909
nonyl 3-[(3-methoxybenzoyl)amino]propanoate
CID 91715386
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 91711919
heptyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716467
decyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716470
methane;pentyl 3-methoxybenzoate
CID 175424879

Frequently Asked Questions

What is the IUPAC name of octyl 2-[(3-methoxybenzoyl)-methylamino]acetate?
The IUPAC name of octyl 2-[(3-methoxybenzoyl)-methylamino]acetate (CID 91715450) is octyl 2-[(3-methoxybenzoyl)-methylamino]acetate.
What is the SMILES notation for octyl 2-[(3-methoxybenzoyl)-methylamino]acetate?
The canonical SMILES for octyl 2-[(3-methoxybenzoyl)-methylamino]acetate is CCCCCCCCOC(=O)CN(C)C(=O)c1cccc(OC)c1.
What is the InChIKey of octyl 2-[(3-methoxybenzoyl)-methylamino]acetate?
The InChIKey is GIVSFMIOSANQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-4-5-6-7-8-9-13-24-18(21)15-20(2)19(22)16-11-10-12-17(14-16)23-3/h10-12,14H,4-9,13,15H2,1-3H3.
What are the key properties of octyl 2-[(3-methoxybenzoyl)-methylamino]acetate?
octyl 2-[(3-methoxybenzoyl)-methylamino]acetate has a molecular weight of 335.44 g/mol, XLogP of 3.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-[(3-methoxybenzoyl)-methylamino]acetate is sourced from PubChem (CID 91715450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).