pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate

C16H23NO4 — CID 91715427

IUPACpentyl 2-[(2-methoxybenzoyl)-methylamino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)c1ccccc1OC
InChIInChI=1S/C16H23NO4/c1-4-5-8-11-21-15(18)12-17(2)16(19)13-9-6-7-10-14(13)20-3/h6-7,9-10H,4-5,8,11-12H2,1-3H3
InChIKeyUAGSTRSFJYLKQD-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.50
Rot. Bonds8

About pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate

pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate (PubChem CID 91715427) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namepentyl 2-[(2-methoxybenzoyl)-methylamino]acetate
PubChem CID91715427
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namepentyl 2-[(2-methoxybenzoyl)-methylamino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)c1ccccc1OC
InChIInChI=1S/C16H23NO4/c1-4-5-8-11-21-15(18)12-17(2)16(19)13-9-6-7-10-14(13)20-3/h6-7,9-10H,4-5,8,11-12H2,1-3H3
InChIKeyUAGSTRSFJYLKQD-UHFFFAOYSA-N
XLogP2.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.50
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-[(2-chlorobenzoyl)-methylamino]acetate
CID 91716463
decyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711916
pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
CID 91722124
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
CID 91715321
pentyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715426
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 91711919
octyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715450
hexyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715049
propyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711904
butyl 2-[methyl-(4-methylbenzoyl)amino]acetate
CID 91710677
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate?
The IUPAC name of pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate (CID 91715427) is pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate.
What is the SMILES notation for pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate?
The canonical SMILES for pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate is CCCCCOC(=O)CN(C)C(=O)c1ccccc1OC.
What is the InChIKey of pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate?
The InChIKey is UAGSTRSFJYLKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-5-8-11-21-15(18)12-17(2)16(19)13-9-6-7-10-14(13)20-3/h6-7,9-10H,4-5,8,11-12H2,1-3H3.
What are the key properties of pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate?
pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate is sourced from PubChem (CID 91715427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).