N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C18H22N2O3 — CID 4299304

IUPACN-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCN(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-13-11-16(21)23-14(2)17(13)18(22)19-9-10-20(3)12-15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)
InChIKeyUNZQLSLLDGNXME-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.12
Rot. Bonds6

About N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 4299304) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID4299304
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCN(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-13-11-16(21)23-14(2)17(13)18(22)19-9-10-20(3)12-15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)
InChIKeyUNZQLSLLDGNXME-UHFFFAOYSA-N
XLogP2.12
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 4299304) is N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCCN(C)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is UNZQLSLLDGNXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-11-16(21)23-14(2)17(13)18(22)19-9-10-20(3)12-15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 4299304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).