N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide

C18H22N2O6 — CID 5175739

IUPACN-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide
SMILESCOc1ccc(NC(=O)C(CO)NC(=O)C2=CC(=O)CC(C)(C)O2)cc1
InChIInChI=1S/C18H22N2O6/c1-18(2)9-12(22)8-15(26-18)17(24)20-14(10-21)16(23)19-11-4-6-13(25-3)7-5-11/h4-8,14,21H,9-10H2,1-3H3,(H,19,23)(H,20,24)
InChIKeySHWZGUPMMYGABI-UHFFFAOYSA-N
MW362.38 g/mol
LogP0.76
Rot. Bonds6

About N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide

N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide (PubChem CID 5175739) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide
PubChem CID5175739
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC NameN-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide
SMILESCOc1ccc(NC(=O)C(CO)NC(=O)C2=CC(=O)CC(C)(C)O2)cc1
InChIInChI=1S/C18H22N2O6/c1-18(2)9-12(22)8-15(26-18)17(24)20-14(10-21)16(23)19-11-4-6-13(25-3)7-5-11/h4-8,14,21H,9-10H2,1-3H3,(H,19,23)(H,20,24)
InChIKeySHWZGUPMMYGABI-UHFFFAOYSA-N
XLogP0.76
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide
CID 6723925
6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 6723427
N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722862
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methoxyphenoxy)propanamide
CID 108743060
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
CID 72548867
N-[(2S)-3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724691
4-methoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 40810651
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide
CID 129145601
[(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid
CID 90743753
(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide
CID 13135700
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide?
The IUPAC name of N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide (CID 5175739) is N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide is COc1ccc(NC(=O)C(CO)NC(=O)C2=CC(=O)CC(C)(C)O2)cc1.
What is the InChIKey of N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide?
The InChIKey is SHWZGUPMMYGABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-18(2)9-12(22)8-15(26-18)17(24)20-14(10-21)16(23)19-11-4-6-13(25-3)7-5-11/h4-8,14,21H,9-10H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide?
N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide is sourced from PubChem (CID 5175739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).