decyl 2-[(4-chlorobenzoyl)-methylamino]acetate

C20H30ClNO3 — CID 91716470

IUPACdecyl 2-[(4-chlorobenzoyl)-methylamino]acetate
SMILESCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H30ClNO3/c1-3-4-5-6-7-8-9-10-15-25-19(23)16-22(2)20(24)17-11-13-18(21)14-12-17/h11-14H,3-10,15-16H2,1-2H3
InChIKeyUPRSSGWYPBBRLK-UHFFFAOYSA-N
MW367.92 g/mol
LogP5.10
Rot. Bonds12

About decyl 2-[(4-chlorobenzoyl)-methylamino]acetate

decyl 2-[(4-chlorobenzoyl)-methylamino]acetate (PubChem CID 91716470) has the molecular formula C20H30ClNO3 and a molecular weight of 367.92 g/mol. Its IUPAC name is decyl 2-[(4-chlorobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namedecyl 2-[(4-chlorobenzoyl)-methylamino]acetate
PubChem CID91716470
Molecular FormulaC20H30ClNO3
Molecular Weight367.92 g/mol
Exact Mass367.19
IUPAC Namedecyl 2-[(4-chlorobenzoyl)-methylamino]acetate
SMILESCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H30ClNO3/c1-3-4-5-6-7-8-9-10-15-25-19(23)16-22(2)20(24)17-11-13-18(21)14-12-17/h11-14H,3-10,15-16H2,1-2H3
InChIKeyUPRSSGWYPBBRLK-UHFFFAOYSA-N
XLogP5.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716467
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 91711919
dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
CID 91715321
butyl 2-[methyl-(4-methylbenzoyl)amino]acetate
CID 91710677
octyl 2-[(2-chlorobenzoyl)-methylamino]acetate
CID 91716463
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
decyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711916
octyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715450
hexyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715049
pentyl 2-[(3-fluorobenzoyl)-methylamino]acetate
CID 91711909

Frequently Asked Questions

What is the IUPAC name of decyl 2-[(4-chlorobenzoyl)-methylamino]acetate?
The IUPAC name of decyl 2-[(4-chlorobenzoyl)-methylamino]acetate (CID 91716470) is decyl 2-[(4-chlorobenzoyl)-methylamino]acetate.
What is the SMILES notation for decyl 2-[(4-chlorobenzoyl)-methylamino]acetate?
The canonical SMILES for decyl 2-[(4-chlorobenzoyl)-methylamino]acetate is CCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of decyl 2-[(4-chlorobenzoyl)-methylamino]acetate?
The InChIKey is UPRSSGWYPBBRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO3/c1-3-4-5-6-7-8-9-10-15-25-19(23)16-22(2)20(24)17-11-13-18(21)14-12-17/h11-14H,3-10,15-16H2,1-2H3.
What are the key properties of decyl 2-[(4-chlorobenzoyl)-methylamino]acetate?
decyl 2-[(4-chlorobenzoyl)-methylamino]acetate has a molecular weight of 367.92 g/mol, XLogP of 5.10, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[(4-chlorobenzoyl)-methylamino]acetate is sourced from PubChem (CID 91716470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).