(2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide

C18H24N2O3 — CID 132548302

IUPAC(2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)/C=C1/OC(=O)N(Cc2ccccc2)C1(C)C
InChIInChI=1S/C18H24N2O3/c1-5-19(6-2)16(21)12-15-18(3,4)20(17(22)23-15)13-14-10-8-7-9-11-14/h7-12H,5-6,13H2,1-4H3/b15-12+
InChIKeyCMCDDCKNXOVEJR-NTCAYCPXSA-N
MW316.40 g/mol
LogP3.17
Rot. Bonds5

About (2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide

(2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide (PubChem CID 132548302) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide.

Molecular Properties

Compound Name(2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide
PubChem CID132548302
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)/C=C1/OC(=O)N(Cc2ccccc2)C1(C)C
InChIInChI=1S/C18H24N2O3/c1-5-19(6-2)16(21)12-15-18(3,4)20(17(22)23-15)13-14-10-8-7-9-11-14/h7-12H,5-6,13H2,1-4H3/b15-12+
InChIKeyCMCDDCKNXOVEJR-NTCAYCPXSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide?
The IUPAC name of (2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide (CID 132548302) is (2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide.
What is the SMILES notation for (2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide?
The canonical SMILES for (2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide is CCN(CC)C(=O)/C=C1/OC(=O)N(Cc2ccccc2)C1(C)C.
What is the InChIKey of (2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide?
The InChIKey is CMCDDCKNXOVEJR-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-19(6-2)16(21)12-15-18(3,4)20(17(22)23-15)13-14-10-8-7-9-11-14/h7-12H,5-6,13H2,1-4H3/b15-12+.
What are the key properties of (2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide?
(2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide has a molecular weight of 316.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-benzyl-4,4-dimethyl-2-oxo-1,3-oxazolidin-5-ylidene)-N,N-diethylacetamide is sourced from PubChem (CID 132548302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).