3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide

C18H21NO5 — CID 91637762

IUPAC3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCc1cc(=O)c(O)c(C(CC(N)=O)c2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C18H21NO5/c1-10(2)23-13-6-4-12(5-7-13)14(9-16(19)21)18-17(22)15(20)8-11(3)24-18/h4-8,10,14,22H,9H2,1-3H3,(H2,19,21)
InChIKeyVYGIVFBAUWYOQQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.45
Rot. Bonds6

About 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide

3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 91637762) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID91637762
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCc1cc(=O)c(O)c(C(CC(N)=O)c2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C18H21NO5/c1-10(2)23-13-6-4-12(5-7-13)14(9-16(19)21)18-17(22)15(20)8-11(3)24-18/h4-8,10,14,22H,9H2,1-3H3,(H2,19,21)
InChIKeyVYGIVFBAUWYOQQ-UHFFFAOYSA-N
XLogP2.45
TPSA102.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-3-amino-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-oxopropyl]benzoic acid
CID 99997462
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide
CID 91636907
3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide
CID 91636460
methyl 4-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-methoxy-3-oxopropyl]benzoate
CID 97424070
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 91637148
(3S)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
CID 99993778
methyl 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanoate
CID 71827391
methyl (3R)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-hydroxyphenyl)propanoate
CID 97423901
methyl (3R)-3-(3-chloro-4-fluorophenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanoate
CID 97265416
methyl (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanoate
CID 97424811
(3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate
CID 6946319
methyl 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(5-methylfuran-2-yl)propanoate
CID 71826302

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide (CID 91637762) is 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide is Cc1cc(=O)c(O)c(C(CC(N)=O)c2ccc(OC(C)C)cc2)o1.
What is the InChIKey of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is VYGIVFBAUWYOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-10(2)23-13-6-4-12(5-7-13)14(9-16(19)21)18-17(22)15(20)8-11(3)24-18/h4-8,10,14,22H,9H2,1-3H3,(H2,19,21).
What are the key properties of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide?
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 91637762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).