N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide

C23H25NO5 — CID 4909987

IUPACN-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
SMILESCCCc1cc(=O)oc2cc(OC(C)C(=O)NCC(O)c3ccccc3)ccc12
InChIInChI=1S/C23H25NO5/c1-3-7-17-12-22(26)29-21-13-18(10-11-19(17)21)28-15(2)23(27)24-14-20(25)16-8-5-4-6-9-16/h4-6,8-13,15,20,25H,3,7,14H2,1-2H3,(H,24,27)
InChIKeyNPJIFETWSCTPLT-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.36
Rot. Bonds8

About N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide

N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide (PubChem CID 4909987) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
PubChem CID4909987
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
SMILESCCCc1cc(=O)oc2cc(OC(C)C(=O)NCC(O)c3ccccc3)ccc12
InChIInChI=1S/C23H25NO5/c1-3-7-17-12-22(26)29-21-13-18(10-11-19(17)21)28-15(2)23(27)24-14-20(25)16-8-5-4-6-9-16/h4-6,8-13,15,20,25H,3,7,14H2,1-2H3,(H,24,27)
InChIKeyNPJIFETWSCTPLT-UHFFFAOYSA-N
XLogP3.36
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.36
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

4-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 5106328
N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide
CID 4911162
(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
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 46633778
3-methyl-2-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]pentanoic acid
CID 3691454
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
(2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 30580970
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)propanamide
CID 4906505
(2S)-N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 40512472
2-[[(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate
CID 6953924

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide (CID 4909987) is N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide is CCCc1cc(=O)oc2cc(OC(C)C(=O)NCC(O)c3ccccc3)ccc12.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
The InChIKey is NPJIFETWSCTPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-3-7-17-12-22(26)29-21-13-18(10-11-19(17)21)28-15(2)23(27)24-14-20(25)16-8-5-4-6-9-16/h4-6,8-13,15,20,25H,3,7,14H2,1-2H3,(H,24,27).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide?
N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide has a molecular weight of 395.46 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide is sourced from PubChem (CID 4909987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).