[4-(N-propylanilino)phenyl] prop-2-enoate

C18H19NO2 — CID 145430713

IUPAC[4-(N-propylanilino)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(N(CCC)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-3-14-19(15-8-6-5-7-9-15)16-10-12-17(13-11-16)21-18(20)4-2/h4-13H,2-3,14H2,1H3
InChIKeyZMTJSDTZCPEJCD-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.33
Rot. Bonds6

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

[4-(N-propylanilino)phenyl] prop-2-enoate (PubChem CID 145430713) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(N-propylanilino)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(N-propylanilino)phenyl] prop-2-enoate
PubChem CID145430713
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name[4-(N-propylanilino)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(N(CCC)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-3-14-19(15-8-6-5-7-9-15)16-10-12-17(13-11-16)21-18(20)4-2/h4-13H,2-3,14H2,1H3
InChIKeyZMTJSDTZCPEJCD-UHFFFAOYSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.33
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-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-[N-[[4-(N-phenylanilino)phenyl]methyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520157
[4-[4-[N-[3,5-bis(N-phenylanilino)phenyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520163
[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate
CID 59745963
[4-[N-(4-phenylbutan-2-yl)anilino]phenyl] prop-2-enoate
CID 88981889
[6-[4-(N-phenylanilino)-N-(6-prop-2-enoyloxynaphthalen-2-yl)anilino]naphthalen-2-yl] prop-2-enoate
CID 58520027
[4-[N-[4-(1-hydroxypropoxy)phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl] prop-2-enoate
CID 58090228
[4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate
CID 58984007
(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

Frequently Asked Questions

What is the IUPAC name of [4-(N-propylanilino)phenyl] prop-2-enoate?
The IUPAC name of [4-(N-propylanilino)phenyl] prop-2-enoate (CID 145430713) is [4-(N-propylanilino)phenyl] prop-2-enoate.
What is the SMILES notation for [4-(N-propylanilino)phenyl] prop-2-enoate?
The canonical SMILES for [4-(N-propylanilino)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(N(CCC)c2ccccc2)cc1.
What is the InChIKey of [4-(N-propylanilino)phenyl] prop-2-enoate?
The InChIKey is ZMTJSDTZCPEJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-14-19(15-8-6-5-7-9-15)16-10-12-17(13-11-16)21-18(20)4-2/h4-13H,2-3,14H2,1H3.
What are the key properties of [4-(N-propylanilino)phenyl] prop-2-enoate?
[4-(N-propylanilino)phenyl] prop-2-enoate has a molecular weight of 281.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-propylanilino)phenyl] prop-2-enoate is sourced from PubChem (CID 145430713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).