4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane

C22H32N2O4 — CID 143333145

IUPAC4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane
SMILESCC.CC.CCCCc1c(C(=O)NC=O)c(NC)oc(=O)c1-c1ccccc1
InChIInChI=1S/C18H20N2O4.2C2H6/c1-3-4-10-13-14(12-8-6-5-7-9-12)18(23)24-17(19-2)15(13)16(22)20-11-21;2*1-2/h5-9,11,19H,3-4,10H2,1-2H3,(H,20,21,22);2*1-2H3
InChIKeyGMTNIMNIXFUHRX-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.63
Rot. Bonds7

About 4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane

4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane (PubChem CID 143333145) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane.

Molecular Properties

Compound Name4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane
PubChem CID143333145
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane
SMILESCC.CC.CCCCc1c(C(=O)NC=O)c(NC)oc(=O)c1-c1ccccc1
InChIInChI=1S/C18H20N2O4.2C2H6/c1-3-4-10-13-14(12-8-6-5-7-9-12)18(23)24-17(19-2)15(13)16(22)20-11-21;2*1-2/h5-9,11,19H,3-4,10H2,1-2H3,(H,20,21,22);2*1-2H3
InChIKeyGMTNIMNIXFUHRX-UHFFFAOYSA-N
XLogP4.63
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-butyl-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304768
(3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate
CID 11716162
tert-butyl 4-[4-[(2R)-2-acetamido-3-methyl-5-oxo-2H-furan-4-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53904717
N-[(2R)-3-methyl-5-oxo-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2H-furan-2-yl]acetamide
CID 53943983
benzyl N-[3-(2,4,7-trioxo-1H-pyrano[2,3-d]pyrimidin-5-yl)propyl]carbamate
CID 59304550
5-butyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304651
3-cyclobutyl-5-ethyl-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304669
(2-Methylprop-2-enoylamino)methyl 4-phenylcyclohexa-1,3-diene-1-carboxylate
CID 89164080
methylcarbamoyl 6-oxo-5-(2-phenylethyl)-1H-pyridine-3-carboxylate
CID 126721254
4-butyl-5-(4-chlorophenyl)-N-formyl-2-(methylamino)-6-oxopyran-3-carboxamide;ethane
CID 143332936
4-butyl-5-(4-cyanophenyl)-N-formyl-2-(methylamino)-6-oxopyran-3-carboxamide
CID 143333199
13-(2,7-Dioxo-3-phenylpyrano[2,3-b]pyridin-8-yl)tridecyl prop-2-enoate
CID 162356830

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane?
The IUPAC name of 4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane (CID 143333145) is 4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane.
What is the SMILES notation for 4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane?
The canonical SMILES for 4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane is CC.CC.CCCCc1c(C(=O)NC=O)c(NC)oc(=O)c1-c1ccccc1.
What is the InChIKey of 4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane?
The InChIKey is GMTNIMNIXFUHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4.2C2H6/c1-3-4-10-13-14(12-8-6-5-7-9-12)18(23)24-17(19-2)15(13)16(22)20-11-21;2*1-2/h5-9,11,19H,3-4,10H2,1-2H3,(H,20,21,22);2*1-2H3.
What are the key properties of 4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane?
4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane has a molecular weight of 388.51 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-formyl-2-(methylamino)-6-oxo-5-phenylpyran-3-carboxamide;ethane is sourced from PubChem (CID 143333145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).