N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide

C14H17NO3 — CID 2886310

IUPACN-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide
SMILESCC1(C)OC(=O)CC1C(=O)NCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-14(2)11(8-12(16)18-14)13(17)15-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,17)
InChIKeyAVTNSJZYFPSBAH-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.64
Rot. Bonds3

About N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide

N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide (PubChem CID 2886310) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide
PubChem CID2886310
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide
SMILESCC1(C)OC(=O)CC1C(=O)NCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-14(2)11(8-12(16)18-14)13(17)15-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,17)
InChIKeyAVTNSJZYFPSBAH-UHFFFAOYSA-N
XLogP1.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3245648
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Methyl 4-(benzylamino)-4-oxobutanoate
CID 2059201
1,3-Dioxolane-2-acetamide, alpha-(2-(acetyloxy)ethyl)-2-methyl-N-((4-methylphenyl)methyl)-
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1-Oxaspiro(4.5)decane-4-carboxamide, 2-oxo-N-(phenylmethyl)-
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(2S,3R)-N-benzyl-4-methylene-2-octyl-5-oxo-tetrahydrofuran-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The IUPAC name of N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide (CID 2886310) is N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide is CC1(C)OC(=O)CC1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The InChIKey is AVTNSJZYFPSBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(2)11(8-12(16)18-14)13(17)15-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide?
N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 2886310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).