[4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate

C23H21NO2 — CID 58984007

IUPAC[4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(CN(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO2/c1-2-23(25)26-22-15-13-20(14-16-22)18-24(21-11-7-4-8-12-21)17-19-9-5-3-6-10-19/h2-16H,1,17-18H2
InChIKeyRIMOMCJQPDHGJY-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.98
Rot. Bonds7

About [4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate

[4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate (PubChem CID 58984007) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate
PubChem CID58984007
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name[4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(CN(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO2/c1-2-23(25)26-22-15-13-20(14-16-22)18-24(21-11-7-4-8-12-21)17-19-9-5-3-6-10-19/h2-16H,1,17-18H2
InChIKeyRIMOMCJQPDHGJY-UHFFFAOYSA-N
XLogP4.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
[4-[4-[N-[[4-(N-phenylanilino)phenyl]methyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520157
[3-(dibenzylamino)-5-methylphenyl] prop-2-enoate
CID 58984002
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
[4-(N-propylanilino)phenyl] prop-2-enoate
CID 145430713
N,N-dibenzylaniline
CID 139071697
[4-[N-(4-phenylbutan-2-yl)anilino]phenyl] prop-2-enoate
CID 88981889
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
2-[4-[N-(4-prop-2-enoyloxyphenyl)-4-[4-(N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 22089877
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
N,N-bis[(4-ethenylphenyl)methyl]aniline
CID 86166362

Frequently Asked Questions

What is the IUPAC name of [4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate (CID 58984007) is [4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(CN(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate?
The InChIKey is RIMOMCJQPDHGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-2-23(25)26-22-15-13-20(14-16-22)18-24(21-11-7-4-8-12-21)17-19-9-5-3-6-10-19/h2-16H,1,17-18H2.
What are the key properties of [4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate?
[4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate has a molecular weight of 343.43 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate is sourced from PubChem (CID 58984007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).