N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide

C19H25NO3 — CID 138058367

IUPACN-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC1(C)CC(N(Cc2ccccc2)C(=O)C2=CCCCO2)CO1
InChIInChI=1S/C19H25NO3/c1-19(2)12-16(14-23-19)20(13-15-8-4-3-5-9-15)18(21)17-10-6-7-11-22-17/h3-5,8-10,16H,6-7,11-14H2,1-2H3
InChIKeyOKTJWQYFGQMHNK-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.28
Rot. Bonds4

About N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide

N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 138058367) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID138058367
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC1(C)CC(N(Cc2ccccc2)C(=O)C2=CCCCO2)CO1
InChIInChI=1S/C19H25NO3/c1-19(2)12-16(14-23-19)20(13-15-8-4-3-5-9-15)18(21)17-10-6-7-11-22-17/h3-5,8-10,16H,6-7,11-14H2,1-2H3
InChIKeyOKTJWQYFGQMHNK-UHFFFAOYSA-N
XLogP3.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide 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

N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
CID 146097185
N-ethyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 171393518
N-benzyl-N-[(4R)-2,2-dimethyloxan-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 92614643
N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 84585411
N-benzyl-N-(oxetan-3-yl)benzamide
CID 166264927
N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 42654291
benzyl-[(3S,4R)-3-hydroxyoxan-4-yl]carbamic acid
CID 70664248
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
CID 102646988
N-benzyl-N-cyclohexylquinoxaline-2-carboxamide
CID 42776638
4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide
CID 66250990
benzyl-(5-oxooxolan-3-yl)carbamic acid
CID 53414136
N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride
CID 53351142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 138058367) is N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide is CC1(C)CC(N(Cc2ccccc2)C(=O)C2=CCCCO2)CO1.
What is the InChIKey of N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is OKTJWQYFGQMHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-19(2)12-16(14-23-19)20(13-15-8-4-3-5-9-15)18(21)17-10-6-7-11-22-17/h3-5,8-10,16H,6-7,11-14H2,1-2H3.
What are the key properties of N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 138058367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).