4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide

C20H18N2O5 — CID 7967896

IUPAC4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)ccc12
InChIInChI=1S/C20H18N2O5/c1-11-9-18(23)27-17-10-15(7-8-16(11)17)26-12(2)20(25)22-14-5-3-13(4-6-14)19(21)24/h3-10,12H,1-2H3,(H2,21,24)(H,22,25)/t12-/m1/s1
InChIKeyCTRNDPRCFQGNQE-GFCCVEGCSA-N
MW366.37 g/mol
LogP2.61
Rot. Bonds5

About 4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide

4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide (PubChem CID 7967896) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
PubChem CID7967896
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)ccc12
InChIInChI=1S/C20H18N2O5/c1-11-9-18(23)27-17-10-15(7-8-16(11)17)26-12(2)20(25)22-14-5-3-13(4-6-14)19(21)24/h3-10,12H,1-2H3,(H2,21,24)(H,22,25)/t12-/m1/s1
InChIKeyCTRNDPRCFQGNQE-GFCCVEGCSA-N
XLogP2.61
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.61
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-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
propan-2-yl 4-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1178021
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide
CID 94332276
(2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1178043
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2967064
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 19191726

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide?
The IUPAC name of 4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide (CID 7967896) is 4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide is Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)ccc12.
What is the InChIKey of 4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide?
The InChIKey is CTRNDPRCFQGNQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-11-9-18(23)27-17-10-15(7-8-16(11)17)26-12(2)20(25)22-14-5-3-13(4-6-14)19(21)24/h3-10,12H,1-2H3,(H2,21,24)(H,22,25)/t12-/m1/s1.
What are the key properties of 4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide?
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide has a molecular weight of 366.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide is sourced from PubChem (CID 7967896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).