[3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate

C30H31NO5 — CID 89279337

IUPAC[3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)C(c1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1)C(C)OC(=O)C=C
InChIInChI=1S/C30H31NO5/c1-6-28(32)35-21(3)30(22(4)36-29(33)7-2)23-13-15-25(16-14-23)31(24-11-9-8-10-12-24)26-17-19-27(34-5)20-18-26/h6-22,30H,1-2H2,3-5H3
InChIKeyGZKCJWHTRRQXQM-UHFFFAOYSA-N
MW485.58 g/mol
LogP6.48
Rot. Bonds11

About [3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate

[3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate (PubChem CID 89279337) has the molecular formula C30H31NO5 and a molecular weight of 485.58 g/mol. Its IUPAC name is [3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate
PubChem CID89279337
Molecular FormulaC30H31NO5
Molecular Weight485.58 g/mol
Exact Mass485.22
IUPAC Name[3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)C(c1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1)C(C)OC(=O)C=C
InChIInChI=1S/C30H31NO5/c1-6-28(32)35-21(3)30(22(4)36-29(33)7-2)23-13-15-25(16-14-23)31(24-11-9-8-10-12-24)26-17-19-27(34-5)20-18-26/h6-22,30H,1-2H2,3-5H3
InChIKeyGZKCJWHTRRQXQM-UHFFFAOYSA-N
XLogP6.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
[6-[4-(N-phenylanilino)-N-(6-prop-2-enoyloxynaphthalen-2-yl)anilino]naphthalen-2-yl] prop-2-enoate
CID 58520027
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate
CID 58876576
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-[N-[3,5-bis(N-phenylanilino)phenyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520163
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
1-benzyl-4-methoxybenzene;1-hydroxypropan-2-yl prop-2-enoate
CID 175225136

Frequently Asked Questions

What is the IUPAC name of [3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate?
The IUPAC name of [3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate (CID 89279337) is [3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate.
What is the SMILES notation for [3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate?
The canonical SMILES for [3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate is C=CC(=O)OC(C)C(c1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1)C(C)OC(=O)C=C.
What is the InChIKey of [3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate?
The InChIKey is GZKCJWHTRRQXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO5/c1-6-28(32)35-21(3)30(22(4)36-29(33)7-2)23-13-15-25(16-14-23)31(24-11-9-8-10-12-24)26-17-19-27(34-5)20-18-26/h6-22,30H,1-2H2,3-5H3.
What are the key properties of [3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate?
[3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate has a molecular weight of 485.58 g/mol, XLogP of 6.48, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate is sourced from PubChem (CID 89279337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).