4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one

C20H23NO — CID 154281794

IUPAC4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one
SMILESCNC=C(C(=O)Cc1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H23NO/c1-15(2)17-9-11-18(12-10-17)19(14-21-3)20(22)13-16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3
InChIKeyCKEDCTDZUWGKGJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.18
Rot. Bonds6

About 4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one

4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one (PubChem CID 154281794) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one.

Molecular Properties

Compound Name4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one
PubChem CID154281794
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one
SMILESCNC=C(C(=O)Cc1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H23NO/c1-15(2)17-9-11-18(12-10-17)19(14-21-3)20(22)13-16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3
InChIKeyCKEDCTDZUWGKGJ-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
(E)-4-hydroxy-1,3-diphenylbut-3-en-2-one
CID 21320938
2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
CID 71459141
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
3-(3-chlorophenyl)-1-(4-chlorophenyl)-4-(methylamino)but-3-en-2-one
CID 154338882
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide
CID 135568517
(Z)-4-methyl-3-[(4-propan-2-ylphenyl)methyl]pent-2-enoic acid
CID 82086217
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
(Z)-N-methyl-2-phenyl-2-[2-(4-propan-2-ylphenyl)ethylideneamino]ethenamine
CID 130256227
2-benzylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639260
2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43218705

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one?
The IUPAC name of 4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one (CID 154281794) is 4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one.
What is the SMILES notation for 4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one?
The canonical SMILES for 4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one is CNC=C(C(=O)Cc1ccccc1)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one?
The InChIKey is CKEDCTDZUWGKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-15(2)17-9-11-18(12-10-17)19(14-21-3)20(22)13-16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3.
What are the key properties of 4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one?
4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one has a molecular weight of 293.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-phenyl-3-(4-propan-2-ylphenyl)but-3-en-2-one is sourced from PubChem (CID 154281794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).