N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide

C20H26N2O3 — CID 170509345

IUPACN-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)NC[C@@H](C)N(C)C
InChIInChI=1S/C20H26N2O3/c1-14-12-17(11-10-16-8-6-5-7-9-16)25-20(24)18(14)19(23)21-13-15(2)22(3)4/h5-9,12,15H,10-11,13H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyACDGVAUVMHPRRB-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.41
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide

N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide (PubChem CID 170509345) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
PubChem CID170509345
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)NC[C@@H](C)N(C)C
InChIInChI=1S/C20H26N2O3/c1-14-12-17(11-10-16-8-6-5-7-9-16)25-20(24)18(14)19(23)21-13-15(2)22(3)4/h5-9,12,15H,10-11,13H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyACDGVAUVMHPRRB-OAHLLOKOSA-N
XLogP2.41
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170502781
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170512129
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806
4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505466
N-(6-hydroxy-6-methylheptan-2-yl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 169414908
N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide
CID 170505081
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505989
4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170511858
4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 169411131
methyl 4-[[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 170504233
4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170511383
N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 169412250

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide (CID 170509345) is N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide is Cc1cc(CCc2ccccc2)oc(=O)c1C(=O)NC[C@@H](C)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The InChIKey is ACDGVAUVMHPRRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-12-17(11-10-16-8-6-5-7-9-16)25-20(24)18(14)19(23)21-13-15(2)22(3)4/h5-9,12,15H,10-11,13H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide is sourced from PubChem (CID 170509345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).