N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C20H26N2O3 — CID 3244834

IUPACN-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1cccc(C)c1
InChIInChI=1S/C20H26N2O3/c1-5-22(17-9-6-8-14(2)12-17)11-7-10-21-20(24)19-15(3)13-18(23)25-16(19)4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,21,24)
InChIKeyZCVWJBHYOWQWFC-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.21
Rot. Bonds7

About N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 3244834) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID3244834
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1cccc(C)c1
InChIInChI=1S/C20H26N2O3/c1-5-22(17-9-6-8-14(2)12-17)11-7-10-21-20(24)19-15(3)13-18(23)25-16(19)4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,21,24)
InChIKeyZCVWJBHYOWQWFC-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_coum(1)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
CID 917461
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
N-{3-[butyl(phenyl)amino]propyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3235619
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3239311
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3242718
Ethyl 4-(butylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 652591
(E)-methyl 3-(3-(cyclohexanecarboxamido)phenyl)acrylate
CID 10880703
(E)-3-[3-(Cyclohexanecarbonyl-methyl-amino)-phenyl]-acrylic acid methyl ester
CID 11012074
Ethyl 4-{[2-(dimethylamino)ethyl]amino}-2-hydroxyquinoline-3-carboxylate
CID 913126
N-(4-(dimethylamino)phenyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 949666
N-{2-[benzyl(methyl)amino]ethyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 4299304

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 3244834) is N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is CCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1cccc(C)c1.
What is the InChIKey of N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is ZCVWJBHYOWQWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-22(17-9-6-8-14(2)12-17)11-7-10-21-20(24)19-15(3)13-18(23)25-16(19)4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,21,24).
What are the key properties of N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethyl-3-methylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 3244834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).