N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide

C22H20N2O4 — CID 51049320

IUPACN-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1c(C)c2ccc(OCC(=O)Nc3ccc4[nH]ccc4c3)c(C)c2oc1=O
InChIInChI=1S/C22H20N2O4/c1-12-13(2)22(26)28-21-14(3)19(7-5-17(12)21)27-11-20(25)24-16-4-6-18-15(10-16)8-9-23-18/h4-10,23H,11H2,1-3H3,(H,24,25)
InChIKeyFZJFKNITQBMQPB-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.22
Rot. Bonds4

About N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide

N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 51049320) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID51049320
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1c(C)c2ccc(OCC(=O)Nc3ccc4[nH]ccc4c3)c(C)c2oc1=O
InChIInChI=1S/C22H20N2O4/c1-12-13(2)22(26)28-21-14(3)19(7-5-17(12)21)27-11-20(25)24-16-4-6-18-15(10-16)8-9-23-18/h4-10,23H,11H2,1-3H3,(H,24,25)
InChIKeyFZJFKNITQBMQPB-UHFFFAOYSA-N
XLogP4.22
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
CID 8563514
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 2389301
N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4837681
3-methylsulfanyl-2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5237987
2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-cyanophenyl)acetamide
CID 2351725
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 1079178
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CID 110205913
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3,4,8-trimethylchromen-2-one
CID 983934
2-(3-fluorophenoxy)-N-(1H-indol-5-yl)acetamide
CID 110730759
N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1305633
N-(1H-indol-5-yl)-2-(oxetan-3-yl)acetamide
CID 112526005
N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 86207746

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide (CID 51049320) is N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide is Cc1c(C)c2ccc(OCC(=O)Nc3ccc4[nH]ccc4c3)c(C)c2oc1=O.
What is the InChIKey of N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is FZJFKNITQBMQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-12-13(2)22(26)28-21-14(3)19(7-5-17(12)21)27-11-20(25)24-16-4-6-18-15(10-16)8-9-23-18/h4-10,23H,11H2,1-3H3,(H,24,25).
What are the key properties of N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 376.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 51049320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).