1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate

C21H29NO4 — CID 67046061

IUPAC1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)N(c1ccc(C)cc1)C(CC)OC(=O)C(=C)C
InChIInChI=1S/C21H29NO4/c1-8-18(25-20(23)14(3)4)22(17-12-10-16(7)11-13-17)19(9-2)26-21(24)15(5)6/h10-13,18-19H,3,5,8-9H2,1-2,4,6-7H3
InChIKeyFCWZFJHNPULLOW-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.51
Rot. Bonds9

About 1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate

1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate (PubChem CID 67046061) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate
PubChem CID67046061
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)N(c1ccc(C)cc1)C(CC)OC(=O)C(=C)C
InChIInChI=1S/C21H29NO4/c1-8-18(25-20(23)14(3)4)22(17-12-10-16(7)11-13-17)19(9-2)26-21(24)15(5)6/h10-13,18-19H,3,5,8-9H2,1-2,4,6-7H3
InChIKeyFCWZFJHNPULLOW-UHFFFAOYSA-N
XLogP4.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 166789153
[dimethylamino-(4-methylphenyl)methyl] 2-methylprop-2-enoate
CID 141366853
1-(dihexylamino)propyl 2-methylprop-2-enoate
CID 140511687
N,N-dimethylaniline;4-methyl-N,N-di(propan-2-yl)aniline;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 157254360
[hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate
CID 135269778
1-(diethylamino)butyl 2-methylprop-2-enoate
CID 87217870
1-(4-propylphenyl)propyl 2-methylprop-2-enoate
CID 174497650
[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 70388302
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate
CID 160871173
1,3-bis(4-propylphenoxy)propan-2-yl 2-methylprop-2-enoate
CID 134322515
1-(2-propylphenyl)propyl 2-methylprop-2-enoate
CID 174492886

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate?
The IUPAC name of 1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate (CID 67046061) is 1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)N(c1ccc(C)cc1)C(CC)OC(=O)C(=C)C.
What is the InChIKey of 1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate?
The InChIKey is FCWZFJHNPULLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-8-18(25-20(23)14(3)4)22(17-12-10-16(7)11-13-17)19(9-2)26-21(24)15(5)6/h10-13,18-19H,3,5,8-9H2,1-2,4,6-7H3.
What are the key properties of 1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate?
1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate has a molecular weight of 359.47 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 67046061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).