6-(N-methylanilino)hexyl 2-methylprop-2-enoate

C17H25NO2 — CID 11780765

IUPAC6-(N-methylanilino)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCN(C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-15(2)17(19)20-14-10-5-4-9-13-18(3)16-11-7-6-8-12-16/h6-8,11-12H,1,4-5,9-10,13-14H2,2-3H3
InChIKeyFWRIOIAKLLDKHL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.80
Rot. Bonds9

About 6-(N-methylanilino)hexyl 2-methylprop-2-enoate

6-(N-methylanilino)hexyl 2-methylprop-2-enoate (PubChem CID 11780765) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 6-(N-methylanilino)hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-(N-methylanilino)hexyl 2-methylprop-2-enoate
PubChem CID11780765
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name6-(N-methylanilino)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCN(C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-15(2)17(19)20-14-10-5-4-9-13-18(3)16-11-7-6-8-12-16/h6-8,11-12H,1,4-5,9-10,13-14H2,2-3H3
InChIKeyFWRIOIAKLLDKHL-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate
CID 102277470
3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate
CID 144769323
6-[N-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]hexyl 2-methylprop-2-enoate
CID 19836361
[4-(N-phenylanilino)phenyl] 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58800664
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
benzyl-dimethyl-[8-(2-methylprop-2-enoyloxy)octyl]azanium
CID 139823019
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
CID 174828907
benzene;pentyl 2-methylprop-2-enoate
CID 174465726
CID 175978198
CID 175978198

Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-(N-methylanilino)hexyl 2-methylprop-2-enoate (CID 11780765) is 6-(N-methylanilino)hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-(N-methylanilino)hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-(N-methylanilino)hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCN(C)c1ccccc1.
What is the InChIKey of 6-(N-methylanilino)hexyl 2-methylprop-2-enoate?
The InChIKey is FWRIOIAKLLDKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-15(2)17(19)20-14-10-5-4-9-13-18(3)16-11-7-6-8-12-16/h6-8,11-12H,1,4-5,9-10,13-14H2,2-3H3.
What are the key properties of 6-(N-methylanilino)hexyl 2-methylprop-2-enoate?
6-(N-methylanilino)hexyl 2-methylprop-2-enoate has a molecular weight of 275.39 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 11780765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).