3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate

C19H25NO4 — CID 144769323

IUPAC3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(CCOC(=O)C(=C)C)c1ccccc1
InChIInChI=1S/C19H25NO4/c1-15(2)18(21)23-13-8-11-20(17-9-6-5-7-10-17)12-14-24-19(22)16(3)4/h5-7,9-10H,1,3,8,11-14H2,2,4H3
InChIKeyQLOZRHCVWQAMQB-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.12
Rot. Bonds10

About 3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate

3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate (PubChem CID 144769323) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate
PubChem CID144769323
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(CCOC(=O)C(=C)C)c1ccccc1
InChIInChI=1S/C19H25NO4/c1-15(2)18(21)23-13-8-11-20(17-9-6-5-7-10-17)12-14-24-19(22)16(3)4/h5-7,9-10H,1,3,8,11-14H2,2,4H3
InChIKeyQLOZRHCVWQAMQB-UHFFFAOYSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-(N-methylanilino)hexyl 2-methylprop-2-enoate
CID 11780765
2-(N-decylanilino)ethyl acetate
CID 70658915
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
CID 175978198
CID 175978198
3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate
CID 102277470
3-(N-benzylanilino)propyl acetate
CID 54183872
3-phenylsulfanylpropyl 2-methylprop-2-enoate
CID 140680016
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
2-diphenylsilyloxyethyl 2-methylprop-2-enoate
CID 174754381
benzene;pentyl 2-methylprop-2-enoate
CID 174465726
[4-(N-phenylanilino)phenyl] 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58800664

Frequently Asked Questions

What is the IUPAC name of 3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate (CID 144769323) is 3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCN(CCOC(=O)C(=C)C)c1ccccc1.
What is the InChIKey of 3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate?
The InChIKey is QLOZRHCVWQAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-15(2)18(21)23-13-8-11-20(17-9-6-5-7-10-17)12-14-24-19(22)16(3)4/h5-7,9-10H,1,3,8,11-14H2,2,4H3.
What are the key properties of 3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate?
3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate has a molecular weight of 331.41 g/mol, XLogP of 3.12, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 144769323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).