3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide

C22H35NO2 — CID 2957681

IUPAC3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(c1ccccc1)C1CCOC(C)(C)C1
InChIInChI=1S/C22H35NO2/c1-5-13-23(14-6-2)21(24)16-20(18-10-8-7-9-11-18)19-12-15-25-22(3,4)17-19/h7-11,19-20H,5-6,12-17H2,1-4H3
InChIKeyXQPCADCBGDOLFB-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.01
Rot. Bonds8

About 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide

3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide (PubChem CID 2957681) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide
PubChem CID2957681
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(c1ccccc1)C1CCOC(C)(C)C1
InChIInChI=1S/C22H35NO2/c1-5-13-23(14-6-2)21(24)16-20(18-10-8-7-9-11-18)19-12-15-25-22(3,4)17-19/h7-11,19-20H,5-6,12-17H2,1-4H3
InChIKeyXQPCADCBGDOLFB-UHFFFAOYSA-N
XLogP5.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pentapiperide
CID 110942
Ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
(4-Phenyl-tetrahydro-pyran-4-yl)-piperidin-1-yl-methanone
CID 649168
1-Morpholin-4-yl-2-phenylpropan-1-one
CID 11031349
Ethyl 1-(3-phenylbutanoyl)-3-piperidinecarboxylate
CID 2914344
1-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutanoyl]pyrrolidine
CID 3795985
1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-carboxylic acid nonyl ester
CID 10522336
1-Ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine-3-carboxylic acid decyl ester
CID 10547222
ethyl 4-(2-phenylethyl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)-4-piperidinecarboxylate
CID 16187606
2-(4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 3341411
N-(2-cyanoethyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-methyl-4-phenylbutanamide
CID 4041116
2-(4-Isobutylphenyl)-1-morpholinopropan-1-one
CID 2850328

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide?
The IUPAC name of 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide (CID 2957681) is 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide?
The canonical SMILES for 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CC(c1ccccc1)C1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide?
The InChIKey is XQPCADCBGDOLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-5-13-23(14-6-2)21(24)16-20(18-10-8-7-9-11-18)19-12-15-25-22(3,4)17-19/h7-11,19-20H,5-6,12-17H2,1-4H3.
What are the key properties of 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide?
3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide has a molecular weight of 345.53 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide is sourced from PubChem (CID 2957681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).