3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate

C16H24N2O2 — CID 102277470

IUPAC3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-13(2)16(19)20-12-6-11-18(5)15-9-7-14(8-10-15)17(3)4/h7-10H,1,6,11-12H2,2-5H3
InChIKeyQFGFAJRBAYYXEG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.70
Rot. Bonds7

About 3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate

3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate (PubChem CID 102277470) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate
PubChem CID102277470
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-13(2)16(19)20-12-6-11-18(5)15-9-7-14(8-10-15)17(3)4/h7-10H,1,6,11-12H2,2-5H3
InChIKeyQFGFAJRBAYYXEG-UHFFFAOYSA-N
XLogP2.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(N-methylanilino)hexyl 2-methylprop-2-enoate
CID 11780765
3-[4-(dimethylamino)phenyl]propyl 2-methylprop-2-enoate
CID 152697543
3-[[1,1-bis[4-(dimethylamino)phenyl]-3-oxo-2-benzofuran-5-yl]-methylamino]propyl 2-methylprop-2-enoate
CID 20710250
3-(2-methylprop-2-enoyloxy)propyl 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 100943241
8-[4-(dimethylamino)pyridin-1-ium-1-yl]octyl 2-methylprop-2-enoate
CID 102146662
2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate
CID 101258494
6-[N-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]hexyl 2-methylprop-2-enoate
CID 19836361
3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate
CID 144769323
2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate
CID 144813887
3-(dimethoxyamino)propyl 2-methylprop-2-enoate
CID 163889892
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate (CID 102277470) is 3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCN(C)c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate?
The InChIKey is QFGFAJRBAYYXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)16(19)20-12-6-11-18(5)15-9-7-14(8-10-15)17(3)4/h7-10H,1,6,11-12H2,2-5H3.
What are the key properties of 3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate?
3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate has a molecular weight of 276.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 102277470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).