3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide

C22H31NO4 — CID 11199637

IUPAC3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide
SMILESCC1=C(C(CC(=O)N(C(C)C)C(C)C)c2ccccc2)C(=O)OC(C)(C)O1
InChIInChI=1S/C22H31NO4/c1-14(2)23(15(3)4)19(24)13-18(17-11-9-8-10-12-17)20-16(5)26-22(6,7)27-21(20)25/h8-12,14-15,18H,13H2,1-7H3
InChIKeyXFCQPLSWHJQYIQ-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.39
Rot. Bonds6

About 3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide

3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide (PubChem CID 11199637) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is 3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide
PubChem CID11199637
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC Name3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide
SMILESCC1=C(C(CC(=O)N(C(C)C)C(C)C)c2ccccc2)C(=O)OC(C)(C)O1
InChIInChI=1S/C22H31NO4/c1-14(2)23(15(3)4)19(24)13-18(17-11-9-8-10-12-17)20-16(5)26-22(6,7)27-21(20)25/h8-12,14-15,18H,13H2,1-7H3
InChIKeyXFCQPLSWHJQYIQ-UHFFFAOYSA-N
XLogP4.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[hydroxy(phenyl)methyl]-2,2,6-trimethyl-1,3-dioxin-4-one
CID 15535898
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 2958205
3-cyano-3-phenyl-N,N-di(propan-2-yl)propanamide;3-cyano-3-phenylpropanoic acid
CID 159488647
5-[(4R)-4-(1,3-benzodioxol-5-yl)-4-phenylbutan-2-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 134960789
3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 141002984
6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one
CID 101353722
3-oxo-3-[[(1S)-1-phenylethyl]-propan-2-ylamino]propanoic acid
CID 15546984
2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide
CID 117059844
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
3-[methyl(propan-2-yl)amino]-3-phenylpropanoic acid
CID 63068759
5-benzyl-6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 102462147
5-[[4-(dimethylamino)phenyl]-phenylmethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 132572303

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide?
The IUPAC name of 3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide (CID 11199637) is 3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide.
What is the SMILES notation for 3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide?
The canonical SMILES for 3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide is CC1=C(C(CC(=O)N(C(C)C)C(C)C)c2ccccc2)C(=O)OC(C)(C)O1.
What is the InChIKey of 3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide?
The InChIKey is XFCQPLSWHJQYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4/c1-14(2)23(15(3)4)19(24)13-18(17-11-9-8-10-12-17)20-16(5)26-22(6,7)27-21(20)25/h8-12,14-15,18H,13H2,1-7H3.
What are the key properties of 3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide?
3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide has a molecular weight of 373.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide is sourced from PubChem (CID 11199637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).