decyl 3-[(2-chlorobenzoyl)amino]propanoate

C20H30ClNO3 — CID 91716594

IUPACdecyl 3-[(2-chlorobenzoyl)amino]propanoate
SMILESCCCCCCCCCCOC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H30ClNO3/c1-2-3-4-5-6-7-8-11-16-25-19(23)14-15-22-20(24)17-12-9-10-13-18(17)21/h9-10,12-13H,2-8,11,14-16H2,1H3,(H,22,24)
InChIKeyQYWPBIFYAZPZMP-UHFFFAOYSA-N
MW367.92 g/mol
LogP5.14
Rot. Bonds13

About decyl 3-[(2-chlorobenzoyl)amino]propanoate

decyl 3-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 91716594) has the molecular formula C20H30ClNO3 and a molecular weight of 367.92 g/mol. Its IUPAC name is decyl 3-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namedecyl 3-[(2-chlorobenzoyl)amino]propanoate
PubChem CID91716594
Molecular FormulaC20H30ClNO3
Molecular Weight367.92 g/mol
Exact Mass367.19
IUPAC Namedecyl 3-[(2-chlorobenzoyl)amino]propanoate
SMILESCCCCCCCCCCOC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H30ClNO3/c1-2-3-4-5-6-7-8-11-16-25-19(23)14-15-22-20(24)17-12-9-10-13-18(17)21/h9-10,12-13H,2-8,11,14-16H2,1H3,(H,22,24)
InChIKeyQYWPBIFYAZPZMP-UHFFFAOYSA-N
XLogP5.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716440
hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231
2-chloro-N-undecylbenzamide
CID 3373978
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
octadecyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20837400
heptyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20836974
pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate
CID 141143852
butyl 4-[(2-hydroxybenzoyl)amino]butanoate
CID 141205227
octyl 2-[(2-chlorobenzoyl)-methylamino]acetate
CID 91716463
undecyl 3-[(4-ethylbenzoyl)amino]propanoate
CID 91714756
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546

Frequently Asked Questions

What is the IUPAC name of decyl 3-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of decyl 3-[(2-chlorobenzoyl)amino]propanoate (CID 91716594) is decyl 3-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for decyl 3-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for decyl 3-[(2-chlorobenzoyl)amino]propanoate is CCCCCCCCCCOC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of decyl 3-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is QYWPBIFYAZPZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO3/c1-2-3-4-5-6-7-8-11-16-25-19(23)14-15-22-20(24)17-12-9-10-13-18(17)21/h9-10,12-13H,2-8,11,14-16H2,1H3,(H,22,24).
What are the key properties of decyl 3-[(2-chlorobenzoyl)amino]propanoate?
decyl 3-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 367.92 g/mol, XLogP of 5.14, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 3-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 91716594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).