1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one

C19H21NO — CID 59120469

IUPAC1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one
SMILESC=C(C)Nc1ccc(-c2ccccc2)c(CC(C)=O)c1C
InChIInChI=1S/C19H21NO/c1-13(2)20-19-11-10-17(16-8-6-5-7-9-16)18(15(19)4)12-14(3)21/h5-11,20H,1,12H2,2-4H3
InChIKeyWBRUNNVBECJBLO-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.74
Rot. Bonds5

About 1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one

1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one (PubChem CID 59120469) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one
PubChem CID59120469
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one
SMILESC=C(C)Nc1ccc(-c2ccccc2)c(CC(C)=O)c1C
InChIInChI=1S/C19H21NO/c1-13(2)20-19-11-10-17(16-8-6-5-7-9-16)18(15(19)4)12-14(3)21/h5-11,20H,1,12H2,2-4H3
InChIKeyWBRUNNVBECJBLO-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-6-phenylbenzoic acid
CID 69191389
1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one
CID 175319649
1-azulen-1-ylazulene;2-methylprop-2-enoic acid
CID 175754594
2-(5-acetamido-2-phenylphenyl)acetic acid
CID 11708801
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one
CID 175507424
2-(2,6-diphenylphenyl)acetic acid
CID 69422987
2-methyl-4-phenylbenzene-1,3-dicarboxylic acid;propan-2-one
CID 157214158
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide
CID 148600278
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one?
The IUPAC name of 1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one (CID 59120469) is 1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one?
The canonical SMILES for 1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one is C=C(C)Nc1ccc(-c2ccccc2)c(CC(C)=O)c1C.
What is the InChIKey of 1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one?
The InChIKey is WBRUNNVBECJBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13(2)20-19-11-10-17(16-8-6-5-7-9-16)18(15(19)4)12-14(3)21/h5-11,20H,1,12H2,2-4H3.
What are the key properties of 1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one?
1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one has a molecular weight of 279.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-phenyl-3-(prop-1-en-2-ylamino)phenyl]propan-2-one is sourced from PubChem (CID 59120469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).