2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate

C29H35N3O2 — CID 144813887

IUPAC2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNc1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C29H35N3O2/c1-21(2)29(33)34-20-19-30-25-13-7-22(8-14-25)28(23-9-15-26(16-10-23)31(3)4)24-11-17-27(18-12-24)32(5)6/h7-18,28,30H,1,19-20H2,2-6H3
InChIKeyHLTCACMKUWIBIG-UHFFFAOYSA-N
MW457.62 g/mol
LogP5.53
Rot. Bonds10

About 2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate

2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate (PubChem CID 144813887) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate
PubChem CID144813887
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC Name2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNc1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C29H35N3O2/c1-21(2)29(33)34-20-19-30-25-13-7-22(8-14-25)28(23-9-15-26(16-10-23)31(3)4)24-11-17-27(18-12-24)32(5)6/h7-18,28,30H,1,19-20H2,2-6H3
InChIKeyHLTCACMKUWIBIG-UHFFFAOYSA-N
XLogP5.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylanilino)ethyl 2-methylprop-2-enoate
CID 59166790
2-(4-ethylanilino)ethyl 2-methylprop-2-enoate
CID 57248614
2-(4-nitroanilino)ethyl 2-methylprop-2-enoate
CID 57224509
2-[[4-[[4-[bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenyl]-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 90224731
3-[4-(dimethylamino)phenyl]propyl 2-methylprop-2-enoate
CID 152697543
3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate
CID 102277470
3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
CID 109036871
8-[4-(dimethylamino)pyridin-1-ium-1-yl]octyl 2-methylprop-2-enoate
CID 102146662
methyl 4-[4-(dimethylamino)anilino]butanoate
CID 43617051
3-(2-methylprop-2-enoyloxy)propyl 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 100943241
2-[bis[4-(propylamino)phenyl]methyl]-5-(dimethylamino)benzoic acid
CID 70188123
2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
CID 70603305

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate (CID 144813887) is 2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNc1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate?
The InChIKey is HLTCACMKUWIBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-21(2)29(33)34-20-19-30-25-13-7-22(8-14-25)28(23-9-15-26(16-10-23)31(3)4)24-11-17-27(18-12-24)32(5)6/h7-18,28,30H,1,19-20H2,2-6H3.
What are the key properties of 2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate?
2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate has a molecular weight of 457.62 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis[4-(dimethylamino)phenyl]methyl]anilino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 144813887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).