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

C19H23NO6 — CID 91637251

IUPAC3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide
SMILESCOc1cc(C(CC(N)=O)c2oc(C)cc(=O)c2O)ccc1OC(C)C
InChIInChI=1S/C19H23NO6/c1-10(2)25-15-6-5-12(8-16(15)24-4)13(9-17(20)22)19-18(23)14(21)7-11(3)26-19/h5-8,10,13,23H,9H2,1-4H3,(H2,20,22)
InChIKeyRIFSZIHKLKLEFV-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.46
Rot. Bonds7

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

3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide (PubChem CID 91637251) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide
PubChem CID91637251
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide
SMILESCOc1cc(C(CC(N)=O)c2oc(C)cc(=O)c2O)ccc1OC(C)C
InChIInChI=1S/C19H23NO6/c1-10(2)25-15-6-5-12(8-16(15)24-4)13(9-17(20)22)19-18(23)14(21)7-11(3)26-19/h5-8,10,13,23H,9H2,1-4H3,(H2,20,22)
InChIKeyRIFSZIHKLKLEFV-UHFFFAOYSA-N
XLogP2.46
TPSA111.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 91637762
methyl 3-(3,4-dimethoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanoate
CID 71826169
methyl 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanoate
CID 71827391
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 91637148
2-[[3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanoyl]amino]-3-methylpentanamide
CID 162852796
4-[(1R)-3-amino-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-oxopropyl]benzoic acid
CID 99997462
(3S)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
CID 99993778
(3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide
CID 124876743
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide
CID 91636907
(3R)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide
CID 99988163
(3S)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide
CID 99988167
(3S)-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-(2-sulfamoylethyl)propanamide
CID 125429041

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide (CID 91637251) is 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide is COc1cc(C(CC(N)=O)c2oc(C)cc(=O)c2O)ccc1OC(C)C.
What is the InChIKey of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide?
The InChIKey is RIFSZIHKLKLEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-10(2)25-15-6-5-12(8-16(15)24-4)13(9-17(20)22)19-18(23)14(21)7-11(3)26-19/h5-8,10,13,23H,9H2,1-4H3,(H2,20,22).
What are the key properties of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide?
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide has a molecular weight of 361.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 91637251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).