N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide

C17H19NO3 — CID 15993069

IUPACN-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C17H19NO3/c1-4-18(11-14-8-6-5-7-9-14)17(20)16-12(2)10-15(19)21-13(16)3/h5-10H,4,11H2,1-3H3
InChIKeyIHRSGDLQARKUQU-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.92
Rot. Bonds4

About N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide

N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 15993069) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID15993069
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C17H19NO3/c1-4-18(11-14-8-6-5-7-9-14)17(20)16-12(2)10-15(19)21-13(16)3/h5-10H,4,11H2,1-3H3
InChIKeyIHRSGDLQARKUQU-UHFFFAOYSA-N
XLogP2.92
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-oxo-2H-pyran-5-carboxamide
CID 919232
5-(4-Benzhydryl-piperazine-1-carbonyl)-4,6-dimethyl-pyran-2-one
CID 597482
N-benzyl-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 757690
2,4-dimethyl-N-[(4-methylphenyl)methyl]-6-oxopyran-3-carboxamide
CID 3388683
1-benzyl-5-methoxy-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 11481653
4,6-dimethyl-2-oxo-N-(2-phenylethyl)-2H-pyran-5-carboxamide
CID 660877
N-(4-fluorobenzyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3243530
2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]-3-pyrancarboxamide
CID 3244136
1-Benzyl-1,2,3,6-tetrahydro-pyridine-4-carboxylic acid ethyl ester
CID 2893620
N-{2-[benzyl(methyl)amino]ethyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 4299304
N-[2-(4-fluorophenyl)ethyl]-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 919264
methyl (E)-3-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)prop-2-enoate
CID 44202079

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 15993069) is N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1c(C)cc(=O)oc1C.
What is the InChIKey of N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is IHRSGDLQARKUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-18(11-14-8-6-5-7-9-14)17(20)16-12(2)10-15(19)21-13(16)3/h5-10H,4,11H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 15993069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).