1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone

C25H26N2O — CID 137482788

IUPAC1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone
SMILESC=C(C)c1ccccc1N(C)c1ccccc1N(C)c1ccccc1C(C)=O
InChIInChI=1S/C25H26N2O/c1-18(2)20-12-6-8-14-22(20)26(4)24-16-10-11-17-25(24)27(5)23-15-9-7-13-21(23)19(3)28/h6-17H,1H2,2-5H3
InChIKeyPQKCMESEIPDYPV-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.46
Rot. Bonds6

About 1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone

1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone (PubChem CID 137482788) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone
PubChem CID137482788
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone
SMILESC=C(C)c1ccccc1N(C)c1ccccc1N(C)c1ccccc1C(C)=O
InChIInChI=1S/C25H26N2O/c1-18(2)20-12-6-8-14-22(20)26(4)24-16-10-11-17-25(24)27(5)23-15-9-7-13-21(23)19(3)28/h6-17H,1H2,2-5H3
InChIKeyPQKCMESEIPDYPV-UHFFFAOYSA-N
XLogP6.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide
CID 102402426
2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide
CID 101456073
1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone
CID 61427259
1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone
CID 142814398
N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide
CID 11831267
1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
CID 62332772
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-[2-(1-methoxyethenyl)phenyl]ethanone
CID 121440840
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
2-(dimethylamino)benzoic acid;2-methylprop-2-enoic acid
CID 146636076

Frequently Asked Questions

What is the IUPAC name of 1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone?
The IUPAC name of 1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone (CID 137482788) is 1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone?
The canonical SMILES for 1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone is C=C(C)c1ccccc1N(C)c1ccccc1N(C)c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone?
The InChIKey is PQKCMESEIPDYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-18(2)20-12-6-8-14-22(20)26(4)24-16-10-11-17-25(24)27(5)23-15-9-7-13-21(23)19(3)28/h6-17H,1H2,2-5H3.
What are the key properties of 1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone?
1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone has a molecular weight of 370.50 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone is sourced from PubChem (CID 137482788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).