3-anilino-4,4-dimethyl-1-phenylpentan-1-one

C19H23NO — CID 23635304

IUPAC3-anilino-4,4-dimethyl-1-phenylpentan-1-one
SMILESCC(C)(C)C(CC(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2,3)18(20-16-12-8-5-9-13-16)14-17(21)15-10-6-4-7-11-15/h4-13,18,20H,14H2,1-3H3
InChIKeyAQAVBIPNHOFTBC-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.79
Rot. Bonds5

About 3-anilino-4,4-dimethyl-1-phenylpentan-1-one

3-anilino-4,4-dimethyl-1-phenylpentan-1-one (PubChem CID 23635304) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-anilino-4,4-dimethyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name3-anilino-4,4-dimethyl-1-phenylpentan-1-one
PubChem CID23635304
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-anilino-4,4-dimethyl-1-phenylpentan-1-one
SMILESCC(C)(C)C(CC(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2,3)18(20-16-12-8-5-9-13-16)14-17(21)15-10-6-4-7-11-15/h4-13,18,20H,14H2,1-3H3
InChIKeyAQAVBIPNHOFTBC-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4,4-dimethyl-1-phenylpentan-1-one
CID 116608460
(2S)-2-anilino-4-oxo-4-phenylbutanoate
CID 7085378
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
(2-anilino-3,3-dimethylbutyl) 2-methylprop-2-enoate
CID 69412555
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
3,3-bis(methylamino)-1-phenylpropan-1-one
CID 175140827
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid
CID 71508404
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560
(3R)-1,3-diphenylpentan-1-one
CID 11042799
2-anilino-3,3-dimethylbutanamide
CID 61324562

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4,4-dimethyl-1-phenylpentan-1-one?
The IUPAC name of 3-anilino-4,4-dimethyl-1-phenylpentan-1-one (CID 23635304) is 3-anilino-4,4-dimethyl-1-phenylpentan-1-one.
What is the SMILES notation for 3-anilino-4,4-dimethyl-1-phenylpentan-1-one?
The canonical SMILES for 3-anilino-4,4-dimethyl-1-phenylpentan-1-one is CC(C)(C)C(CC(=O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 3-anilino-4,4-dimethyl-1-phenylpentan-1-one?
The InChIKey is AQAVBIPNHOFTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2,3)18(20-16-12-8-5-9-13-16)14-17(21)15-10-6-4-7-11-15/h4-13,18,20H,14H2,1-3H3.
What are the key properties of 3-anilino-4,4-dimethyl-1-phenylpentan-1-one?
3-anilino-4,4-dimethyl-1-phenylpentan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4,4-dimethyl-1-phenylpentan-1-one is sourced from PubChem (CID 23635304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).