[5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate

C35H29NO4 — CID 58520062

IUPAC[5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc2c(N(c3ccc(C)cc3)c3cccc4c(OC(=O)C(=C)C)cccc34)cccc12
InChIInChI=1S/C35H29NO4/c1-22(2)34(37)39-32-16-8-10-26-28(32)12-6-14-30(26)36(25-20-18-24(5)19-21-25)31-15-7-13-29-27(31)11-9-17-33(29)40-35(38)23(3)4/h6-21H,1,3H2,2,4-5H3
InChIKeyHJPISFFSKSUIAY-UHFFFAOYSA-N
MW527.62 g/mol
LogP8.73
Rot. Bonds7

About [5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate

[5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate (PubChem CID 58520062) has the molecular formula C35H29NO4 and a molecular weight of 527.62 g/mol. Its IUPAC name is [5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate
PubChem CID58520062
Molecular FormulaC35H29NO4
Molecular Weight527.62 g/mol
Exact Mass527.21
IUPAC Name[5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc2c(N(c3ccc(C)cc3)c3cccc4c(OC(=O)C(=C)C)cccc34)cccc12
InChIInChI=1S/C35H29NO4/c1-22(2)34(37)39-32-16-8-10-26-28(32)12-6-14-30(26)36(25-20-18-24(5)19-21-25)31-15-7-13-29-27(31)11-9-17-33(29)40-35(38)23(3)4/h6-21H,1,3H2,2,4-5H3
InChIKeyHJPISFFSKSUIAY-UHFFFAOYSA-N
XLogP8.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 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

[5-(4-methyl-N-[2-methyl-4-[3-methyl-4-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)phenyl]phenyl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate
CID 58520143
1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine
CID 20754064
[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800614
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
[3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 59366095
[4-[4-(4-methyl-N-[4-[5-[4-(4-methyl-N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]anilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58520185
[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58701296
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
[2-methyl-5-(4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propan-2-yl]phenyl]anilino)phenyl] 2-methylprop-2-enoate
CID 58205411
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
CID 13195611
[4-[4-[N-[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520075
[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate;[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl] prop-2-enoate;[3-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 157164623

Frequently Asked Questions

What is the IUPAC name of [5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate (CID 58520062) is [5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cccc2c(N(c3ccc(C)cc3)c3cccc4c(OC(=O)C(=C)C)cccc34)cccc12.
What is the InChIKey of [5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate?
The InChIKey is HJPISFFSKSUIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29NO4/c1-22(2)34(37)39-32-16-8-10-26-28(32)12-6-14-30(26)36(25-20-18-24(5)19-21-25)31-15-7-13-29-27(31)11-9-17-33(29)40-35(38)23(3)4/h6-21H,1,3H2,2,4-5H3.
What are the key properties of [5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate?
[5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate has a molecular weight of 527.62 g/mol, XLogP of 8.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 58520062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).