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

C19H24N2O3 — CID 3243334

IUPACN-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-4-21(16-9-6-5-7-10-16)12-8-11-20-19(23)18-14(2)13-17(22)24-15(18)3/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,20,23)
InChIKeyJQSPHHMGUFYDRZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.90
Rot. Bonds7

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

N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 3243334) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID3243334
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-4-21(16-9-6-5-7-10-16)12-8-11-20-19(23)18-14(2)13-17(22)24-15(18)3/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,20,23)
InChIKeyJQSPHHMGUFYDRZ-UHFFFAOYSA-N
XLogP2.90
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 3243334) is N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is CCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is JQSPHHMGUFYDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-21(16-9-6-5-7-10-16)12-8-11-20-19(23)18-14(2)13-17(22)24-15(18)3/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 3243334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).