6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate

C24H26N2O3 — CID 171768625

IUPAC6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-18(2)24(28)29-16-6-4-3-5-15-26-23(27)22-13-11-21(12-14-22)20-9-7-19(17-25)8-10-20/h7-14H,1,3-6,15-16H2,2H3,(H,26,27)
InChIKeyKUNIPJMRNXLLND-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.63
Rot. Bonds10

About 6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate

6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate (PubChem CID 171768625) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate
PubChem CID171768625
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-18(2)24(28)29-16-6-4-3-5-15-26-23(27)22-13-11-21(12-14-22)20-9-7-19(17-25)8-10-20/h7-14H,1,3-6,15-16H2,2H3,(H,26,27)
InChIKeyKUNIPJMRNXLLND-UHFFFAOYSA-N
XLogP4.63
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
4-cyano-N-decylbenzamide
CID 14179073
octadecyl 2-(4-cyanophenyl)prop-2-enoate
CID 137370257
4-aminobenzonitrile;4-[8-(2-methylprop-2-enoyloxy)octoxy]benzoic acid
CID 70363951
2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate
CID 171768253
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
2-[2-[2-[4-(4-cyanophenyl)phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102215087
2-[(4-aminobenzoyl)amino]ethyl 2-methylprop-2-enoate
CID 118056637
(4-cyanophenyl) 4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 102381222
4-cyano-N-(5-methylhexyl)benzamide
CID 79003058

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate (CID 171768625) is 6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate?
The InChIKey is KUNIPJMRNXLLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-18(2)24(28)29-16-6-4-3-5-15-26-23(27)22-13-11-21(12-14-22)20-9-7-19(17-25)8-10-20/h7-14H,1,3-6,15-16H2,2H3,(H,26,27).
What are the key properties of 6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate?
6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate has a molecular weight of 390.48 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 171768625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).