(2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide

C24H21NO6 — CID 8015800

IUPAC(2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide
SMILESCOc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCc4ccco4)ccc23)cc1
InChIInChI=1S/C24H21NO6/c1-15(24(27)25-14-19-4-3-11-29-19)30-18-9-10-20-21(13-23(26)31-22(20)12-18)16-5-7-17(28-2)8-6-16/h3-13,15H,14H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyYTYAREKFLJBNBY-HNNXBMFYSA-N
MW419.43 g/mol
LogP4.15
Rot. Bonds7

About (2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide

(2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide (PubChem CID 8015800) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide
PubChem CID8015800
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name(2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide
SMILESCOc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCc4ccco4)ccc23)cc1
InChIInChI=1S/C24H21NO6/c1-15(24(27)25-14-19-4-3-11-29-19)30-18-9-10-20-21(13-23(26)31-22(20)12-18)16-5-7-17(28-2)8-6-16/h3-13,15H,14H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyYTYAREKFLJBNBY-HNNXBMFYSA-N
XLogP4.15
TPSA90.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide
CID 4967046
(2S)-N-(3-hydroxypropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7095334
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070060
2-[[2-[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235111
2-[[2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235109
(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 8015794
4-[[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 982177
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 104707302
(2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7633293
(2R)-3-methyl-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 75490946
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide (CID 8015800) is (2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide is COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCc4ccco4)ccc23)cc1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide?
The InChIKey is YTYAREKFLJBNBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-15(24(27)25-14-19-4-3-11-29-19)30-18-9-10-20-21(13-23(26)31-22(20)12-18)16-5-7-17(28-2)8-6-16/h3-13,15H,14H2,1-2H3,(H,25,27)/t15-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide?
(2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide has a molecular weight of 419.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide is sourced from PubChem (CID 8015800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).