N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide

C24H27NO5 — CID 4911162

IUPACN-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide
SMILESCCCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)NCC(O)c3ccccc3)c12
InChIInChI=1S/C24H27NO5/c1-4-8-18-13-22(27)30-21-12-15(2)11-20(23(18)21)29-16(3)24(28)25-14-19(26)17-9-6-5-7-10-17/h5-7,9-13,16,19,26H,4,8,14H2,1-3H3,(H,25,28)
InChIKeyBAHSAQKVEPVYOL-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.67
Rot. Bonds8

About N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide

N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide (PubChem CID 4911162) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide
PubChem CID4911162
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide
SMILESCCCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)NCC(O)c3ccccc3)c12
InChIInChI=1S/C24H27NO5/c1-4-8-18-13-22(27)30-21-12-15(2)11-20(23(18)21)29-16(3)24(28)25-14-19(26)17-9-6-5-7-10-17/h5-7,9-13,16,19,26H,4,8,14H2,1-3H3,(H,25,28)
InChIKeyBAHSAQKVEPVYOL-UHFFFAOYSA-N
XLogP3.67
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.67
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-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 4909987
2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid
CID 3664519
3-methyl-2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]butanoic acid
CID 71949437
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 933118
(2S)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]propanamide
CID 40634128
ethyl (2S)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxypropanoate
CID 982342
4-ethyl-7-methyl-5-[(2S)-3-oxobutan-2-yl]oxychromen-2-one
CID 701525
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid
CID 3378282
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide
CID 4909677
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325275
4-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 5106328

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide (CID 4911162) is N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide is CCCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)NCC(O)c3ccccc3)c12.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide?
The InChIKey is BAHSAQKVEPVYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-4-8-18-13-22(27)30-21-12-15(2)11-20(23(18)21)29-16(3)24(28)25-14-19(26)17-9-6-5-7-10-17/h5-7,9-13,16,19,26H,4,8,14H2,1-3H3,(H,25,28).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide?
N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide has a molecular weight of 409.48 g/mol, XLogP of 3.67, 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-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide is sourced from PubChem (CID 4911162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).