2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide

C24H27NO4 — CID 46633778

IUPAC2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
SMILESCCCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccccc3C(C)C)ccc12
InChIInChI=1S/C24H27NO4/c1-5-8-17-13-23(26)29-22-14-18(11-12-20(17)22)28-16(4)24(27)25-21-10-7-6-9-19(21)15(2)3/h6-7,9-16H,5,8H2,1-4H3,(H,25,27)
InChIKeyNUEMOKQJABPMJW-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.27
Rot. Bonds7

About 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide

2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 46633778) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
PubChem CID46633778
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
SMILESCCCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccccc3C(C)C)ccc12
InChIInChI=1S/C24H27NO4/c1-5-8-17-13-23(26)29-22-14-18(11-12-20(17)22)28-16(4)24(27)25-21-10-7-6-9-19(21)15(2)3/h6-7,9-16H,5,8H2,1-4H3,(H,25,27)
InChIKeyNUEMOKQJABPMJW-UHFFFAOYSA-N
XLogP5.27
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.27
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

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 19191726
(2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 30580970
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 7643681
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 4909987
3-methyl-2-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]pentanoic acid
CID 3691454
4-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 5106328
(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7596376
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4904334
(2S)-N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 40512472
(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 135639471

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide (CID 46633778) is 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide is CCCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccccc3C(C)C)ccc12.
What is the InChIKey of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is NUEMOKQJABPMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-5-8-17-13-23(26)29-22-14-18(11-12-20(17)22)28-16(4)24(27)25-21-10-7-6-9-19(21)15(2)3/h6-7,9-16H,5,8H2,1-4H3,(H,25,27).
What are the key properties of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide?
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 393.48 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 46633778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).