[3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate

C23H21NO3 — CID 163477800

IUPAC[3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cccc(N(c2cccc(C)c2)c2cccc(OC)c2)c1
InChIInChI=1S/C23H21NO3/c1-4-23(25)27-22-13-7-11-20(16-22)24(18-9-5-8-17(2)14-18)19-10-6-12-21(15-19)26-3/h4-16H,1H2,2-3H3
InChIKeyCBYICEYDWUBHOU-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.56
Rot. Bonds6

About [3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate

[3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate (PubChem CID 163477800) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate
PubChem CID163477800
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name[3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cccc(N(c2cccc(C)c2)c2cccc(OC)c2)c1
InChIInChI=1S/C23H21NO3/c1-4-23(25)27-22-13-7-11-20(16-22)24(18-9-5-8-17(2)14-18)19-10-6-12-21(15-19)26-3/h4-16H,1H2,2-3H3
InChIKeyCBYICEYDWUBHOU-UHFFFAOYSA-N
XLogP5.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate
CID 163940283
[4-[4-(N-(3-methylphenyl)-4-prop-2-enoyloxyanilino)phenyl]phenyl] prop-2-enoate
CID 59832794
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
[3-(4-chloro-N-(3-prop-2-enoyloxyphenyl)anilino)phenyl] prop-2-enoate
CID 59832753
[3-(N-(3,4-dimethylphenyl)-3-formyloxyanilino)phenyl] prop-2-enoate
CID 90291391
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
[3-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl] propanoate
CID 58701251
[6-[[6-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-2-yl]-(6-prop-2-enoyloxynaphthalen-2-yl)amino]naphthalen-2-yl] prop-2-enoate
CID 58520192
tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide
CID 158446549
[3-[N-methyl-4-[4-(N-methyl-3-prop-2-enoyloxyanilino)phenyl]anilino]phenyl] prop-2-enoate
CID 22089770
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate?
The IUPAC name of [3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate (CID 163477800) is [3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate.
What is the SMILES notation for [3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate?
The canonical SMILES for [3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate is C=CC(=O)Oc1cccc(N(c2cccc(C)c2)c2cccc(OC)c2)c1.
What is the InChIKey of [3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate?
The InChIKey is CBYICEYDWUBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-4-23(25)27-22-13-7-11-20(16-22)24(18-9-5-8-17(2)14-18)19-10-6-12-21(15-19)26-3/h4-16H,1H2,2-3H3.
What are the key properties of [3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate?
[3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate has a molecular weight of 359.43 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate is sourced from PubChem (CID 163477800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).