N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide

C22H23NO5 — CID 100906391

IUPACN-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
SMILESCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@H](C)CO
InChIInChI=1S/C22H23NO5/c1-14(13-24)23-21(25)9-8-16-10-18-17(15-6-4-3-5-7-15)11-22(26)28-20(18)12-19(16)27-2/h3-7,10-12,14,24H,8-9,13H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyGROIRGFETZAWAX-CQSZACIVSA-N
MW381.43 g/mol
LogP2.90
Rot. Bonds7

About N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide

N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide (PubChem CID 100906391) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
PubChem CID100906391
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
SMILESCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@H](C)CO
InChIInChI=1S/C22H23NO5/c1-14(13-24)23-21(25)9-8-16-10-18-17(15-6-4-3-5-7-15)11-22(26)28-20(18)12-19(16)27-2/h3-7,10-12,14,24H,8-9,13H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyGROIRGFETZAWAX-CQSZACIVSA-N
XLogP2.90
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 100905721
methyl (2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanoylamino]-3-phenylpropanoate
CID 56723795
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 42536058
2-(2-oxo-4-phenyl-6-propylchromen-7-yl)oxyacetamide
CID 166604353
7-ethoxy-6-ethyl-4-phenylchromen-2-one
CID 2888002
2-(6-hexyl-2-oxo-4-phenylchromen-7-yl)oxyacetic acid
CID 3664205
N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 42581163
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 125462640
2-(6-hexyl-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 7150050
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)-N-(3-methoxypropyl)propanamide
CID 122169770
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42536012
N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 71946834

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide (CID 100906391) is N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide is COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@H](C)CO.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide?
The InChIKey is GROIRGFETZAWAX-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23NO5/c1-14(13-24)23-21(25)9-8-16-10-18-17(15-6-4-3-5-7-15)11-22(26)28-20(18)12-19(16)27-2/h3-7,10-12,14,24H,8-9,13H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide?
N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide has a molecular weight of 381.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide is sourced from PubChem (CID 100906391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).