2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone

C19H23NO — CID 63567372

IUPAC2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1ccc(N(C)CC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23NO/c1-14(2)16-7-9-17(10-8-16)19(21)13-20(4)18-11-5-15(3)6-12-18/h5-12,14H,13H2,1-4H3
InChIKeyMGEVVJXYPMYOMK-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.44
Rot. Bonds5

About 2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone

2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 63567372) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID63567372
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1ccc(N(C)CC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23NO/c1-14(2)16-7-9-17(10-8-16)19(21)13-20(4)18-11-5-15(3)6-12-18/h5-12,14H,13H2,1-4H3
InChIKeyMGEVVJXYPMYOMK-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002
2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone
CID 63568085
methyl 2-(N-methyl-4-propan-2-ylanilino)acetate
CID 115232732
butan-2-one;1-methyl-4-propan-2-ylbenzene
CID 163264285
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 104552733
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
3-[methyl-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]propanoic acid
CID 82136248
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
2-[(2-amino-2-oxoethyl)-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]acetamide
CID 62923142
2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 43795097
3-(N-methyl-4-propan-2-ylanilino)propanoic acid
CID 17244983
1-[4-(N-(4-pentanoylphenyl)-4-propan-2-ylanilino)phenyl]pentan-1-one
CID 118530705

Frequently Asked Questions

What is the IUPAC name of 2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone (CID 63567372) is 2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone is Cc1ccc(N(C)CC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is MGEVVJXYPMYOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)16-7-9-17(10-8-16)19(21)13-20(4)18-11-5-15(3)6-12-18/h5-12,14H,13H2,1-4H3.
What are the key properties of 2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone?
2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 281.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 63567372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).