N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide

C20H21NO4 — CID 8741427

IUPACN-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)C(=O)C[C@H](c1ccc(OC)cc1)O2
InChIInChI=1S/C20H21NO4/c1-3-4-20(23)21-14-7-10-18-16(11-14)17(22)12-19(25-18)13-5-8-15(24-2)9-6-13/h5-11,19H,3-4,12H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyXIWHMXQTJHZKHK-LJQANCHMSA-N
MW339.39 g/mol
LogP4.14
Rot. Bonds5

About N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide

N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide (PubChem CID 8741427) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide
PubChem CID8741427
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)C(=O)C[C@H](c1ccc(OC)cc1)O2
InChIInChI=1S/C20H21NO4/c1-3-4-20(23)21-14-7-10-18-16(11-14)17(22)12-19(25-18)13-5-8-15(24-2)9-6-13/h5-11,19H,3-4,12H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyXIWHMXQTJHZKHK-LJQANCHMSA-N
XLogP4.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2917176
N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide
CID 19837990
[(2R)-2-(4-tert-butylphenyl)-4-oxo-2,3-dihydrochromen-6-yl] acetate
CID 70138273
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169
5-(4-methoxyphenyl)-2-propan-2-ylideneoxolan-3-one
CID 23250319
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide
CID 16826905
6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one
CID 163678312

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide?
The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide (CID 8741427) is N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide.
What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide?
The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)C(=O)C[C@H](c1ccc(OC)cc1)O2.
What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide?
The InChIKey is XIWHMXQTJHZKHK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-4-20(23)21-14-7-10-18-16(11-14)17(22)12-19(25-18)13-5-8-15(24-2)9-6-13/h5-11,19H,3-4,12H2,1-2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide?
N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide has a molecular weight of 339.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide is sourced from PubChem (CID 8741427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).