5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide

C17H19NO4 — CID 27378261

IUPAC5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide
SMILESCOc1coc(C(=O)N[C@@H](C)CCc2ccccc2)cc1=O
InChIInChI=1S/C17H19NO4/c1-12(8-9-13-6-4-3-5-7-13)18-17(20)15-10-14(19)16(21-2)11-22-15/h3-7,10-12H,8-9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeySSOHKKXOCNGSFB-LBPRGKRZSA-N
MW301.34 g/mol
LogP2.40
Rot. Bonds6

About 5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide

5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide (PubChem CID 27378261) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide
PubChem CID27378261
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide
SMILESCOc1coc(C(=O)N[C@@H](C)CCc2ccccc2)cc1=O
InChIInChI=1S/C17H19NO4/c1-12(8-9-13-6-4-3-5-7-13)18-17(20)15-10-14(19)16(21-2)11-22-15/h3-7,10-12H,8-9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeySSOHKKXOCNGSFB-LBPRGKRZSA-N
XLogP2.40
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
[4-[(3R)-3-(furan-2-carbonylamino)butyl]-2-methoxyphenyl] furan-2-carboxylate
CID 6976374
[4-[3-(furan-2-carbonylamino)butyl]-2-methoxyphenyl] furan-2-carboxylate
CID 2818039
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 7356959
4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 133149991
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 40742244
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide?
The IUPAC name of 5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide (CID 27378261) is 5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide.
What is the SMILES notation for 5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide?
The canonical SMILES for 5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide is COc1coc(C(=O)N[C@@H](C)CCc2ccccc2)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide?
The InChIKey is SSOHKKXOCNGSFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12(8-9-13-6-4-3-5-7-13)18-17(20)15-10-14(19)16(21-2)11-22-15/h3-7,10-12H,8-9H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide?
5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide is sourced from PubChem (CID 27378261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).