2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide

C15H21NO3 — CID 65155453

IUPAC2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NOCc2ccccc2)C1C
InChIInChI=1S/C15H21NO3/c1-10-11(2)19-12(3)14(10)15(17)16-18-9-13-7-5-4-6-8-13/h4-8,10-12,14H,9H2,1-3H3,(H,16,17)
InChIKeyCDRVBYDSSQLPMA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.29
Rot. Bonds4

About 2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide

2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide (PubChem CID 65155453) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide
PubChem CID65155453
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NOCc2ccccc2)C1C
InChIInChI=1S/C15H21NO3/c1-10-11(2)19-12(3)14(10)15(17)16-18-9-13-7-5-4-6-8-13/h4-8,10-12,14H,9H2,1-3H3,(H,16,17)
InChIKeyCDRVBYDSSQLPMA-UHFFFAOYSA-N
XLogP2.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
CID 79005762
N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide
CID 142647733
N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65156923
N-phenylmethoxy-1,4-dioxane-2-carboxamide
CID 60756176
4-amino-2-methyl-5-phenylmethoxyoxolane-3-carboxylic acid
CID 14161425
1-methyl-3-phenylmethoxyurea
CID 14227198
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882
cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide
CID 101199184
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
(2R)-N-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32578805
(3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11044233
2-cyclopropyl-2-hydroxy-N-phenylmethoxyacetamide
CID 11241500

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide (CID 65155453) is 2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide is CC1OC(C)C(C(=O)NOCc2ccccc2)C1C.
What is the InChIKey of 2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide?
The InChIKey is CDRVBYDSSQLPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-11(2)19-12(3)14(10)15(17)16-18-9-13-7-5-4-6-8-13/h4-8,10-12,14H,9H2,1-3H3,(H,16,17).
What are the key properties of 2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide?
2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide is sourced from PubChem (CID 65155453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).