3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide

C20H21NO3 — CID 23465761

IUPAC3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide
SMILESCC1(C)Oc2ccccc2C(=O)C1C(CC(N)=O)c1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(2)18(19(23)14-10-6-7-11-16(14)24-20)15(12-17(21)22)13-8-4-3-5-9-13/h3-11,15,18H,12H2,1-2H3,(H2,21,22)
InChIKeyNZONPTXANJCITJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.32
Rot. Bonds4

About 3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide

3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide (PubChem CID 23465761) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide
PubChem CID23465761
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide
SMILESCC1(C)Oc2ccccc2C(=O)C1C(CC(N)=O)c1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(2)18(19(23)14-10-6-7-11-16(14)24-20)15(12-17(21)22)13-8-4-3-5-9-13/h3-11,15,18H,12H2,1-2H3,(H2,21,22)
InChIKeyNZONPTXANJCITJ-UHFFFAOYSA-N
XLogP3.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(3-oxo-3-phenylpropyl)-3H-chromen-4-one
CID 23465628
3-chloro-2,2-dimethyl-3H-chromen-4-one
CID 12531632
2-hydroxy-3-(3-oxo-1-phenylbutyl)-2,3-dihydrochromen-4-one
CID 126963599
2-[(1R)-3-oxo-1-phenylbutyl]indene-1,3-dione
CID 98056346
2-(3-oxo-1-phenylbutyl)indene-1,3-dione
CID 519483
4-methyl-3-phenylpentanamide
CID 66616845
2-[(1R)-4,4-dimethyl-3-oxo-1-phenylpentyl]indene-1,3-dione
CID 793748
2-(hydroxymethyl)-2-methyl-3H-chromen-4-one
CID 121218657
(2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one
CID 71469557
3-(1-hydroxypropyl)-1'-[(1S,2S)-2-methylcyclopropanecarbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 178145174
ethyl (3R)-3-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-3-phenylpropanoate
CID 15305833
4,4-dimethyl-3-phenylpentanamide
CID 82077159

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide?
The IUPAC name of 3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide (CID 23465761) is 3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide?
The canonical SMILES for 3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide is CC1(C)Oc2ccccc2C(=O)C1C(CC(N)=O)c1ccccc1.
What is the InChIKey of 3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide?
The InChIKey is NZONPTXANJCITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(2)18(19(23)14-10-6-7-11-16(14)24-20)15(12-17(21)22)13-8-4-3-5-9-13/h3-11,15,18H,12H2,1-2H3,(H2,21,22).
What are the key properties of 3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide?
3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide has a molecular weight of 323.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 23465761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).