N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide

C16H20N2O2 — CID 65156211

IUPACN-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(C)c2cccc(C#N)c2)C1C
InChIInChI=1S/C16H20N2O2/c1-10-11(2)20-12(3)15(10)16(19)18(4)14-7-5-6-13(8-14)9-17/h5-8,10-12,15H,1-4H3
InChIKeyFJTUWQNBVDQBQI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.58
Rot. Bonds2

About N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide

N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide (PubChem CID 65156211) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
PubChem CID65156211
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(C)c2cccc(C#N)c2)C1C
InChIInChI=1S/C16H20N2O2/c1-10-11(2)20-12(3)15(10)16(19)18(4)14-7-5-6-13(8-14)9-17/h5-8,10-12,15H,1-4H3
InChIKeyFJTUWQNBVDQBQI-UHFFFAOYSA-N
XLogP2.58
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65157408
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N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide
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1-(3-cyanophenyl)-3-(3-isocyanophenyl)-1,3-dimethylurea
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2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
CID 107910030
2-[carboxymethyl-[(3-cyanophenyl)-methylcarbamoyl]amino]acetic acid
CID 63645997
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
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3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide (CID 65156211) is N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)N(C)c2cccc(C#N)c2)C1C.
What is the InChIKey of N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The InChIKey is FJTUWQNBVDQBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-11(2)20-12(3)15(10)16(19)18(4)14-7-5-6-13(8-14)9-17/h5-8,10-12,15H,1-4H3.
What are the key properties of N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide is sourced from PubChem (CID 65156211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).