2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide

C23H25NO4 — CID 2695560

IUPAC2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)CCc3ccccc3)ccc12
InChIInChI=1S/C23H25NO4/c1-3-18-13-23(26)28-21-14-19(11-12-20(18)21)27-15-22(25)24-16(2)9-10-17-7-5-4-6-8-17/h4-8,11-14,16H,3,9-10,15H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyFWMQOTJMKZMFHH-MRXNPFEDSA-N
MW379.46 g/mol
LogP3.87
Rot. Bonds8

About 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 2695560) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID2695560
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)CCc3ccccc3)ccc12
InChIInChI=1S/C23H25NO4/c1-3-18-13-23(26)28-21-14-19(11-12-20(18)21)27-15-22(25)24-16(2)9-10-17-7-5-4-6-8-17/h4-8,11-14,16H,3,9-10,15H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyFWMQOTJMKZMFHH-MRXNPFEDSA-N
XLogP3.87
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 7699702
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 7699880
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
N-[(2S)-5-methylhexan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7688955
N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402692
2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2108311
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 46676212
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7967936

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 2695560) is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide is CCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)CCc3ccccc3)ccc12.
What is the InChIKey of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is FWMQOTJMKZMFHH-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25NO4/c1-3-18-13-23(26)28-21-14-19(11-12-20(18)21)27-15-22(25)24-16(2)9-10-17-7-5-4-6-8-17/h4-8,11-14,16H,3,9-10,15H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 2695560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).