2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

C24H24N2O5 — CID 8016363

IUPAC2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc(O)c(C)c4oc3=O)c2c1
InChIInChI=1S/C24H24N2O5/c1-13-17-5-7-21(27)14(2)23(17)31-24(29)18(13)11-22(28)25-9-8-15-12-26-20-6-4-16(30-3)10-19(15)20/h4-7,10,12,26-27H,8-9,11H2,1-3H3,(H,25,28)
InChIKeyVBRKONHXGFTUIZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.51
Rot. Bonds6

About 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 8016363) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID8016363
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc(O)c(C)c4oc3=O)c2c1
InChIInChI=1S/C24H24N2O5/c1-13-17-5-7-21(27)14(2)23(17)31-24(29)18(13)11-22(28)25-9-8-15-12-26-20-6-4-16(30-3)10-19(15)20/h4-7,10,12,26-27H,8-9,11H2,1-3H3,(H,25,28)
InChIKeyVBRKONHXGFTUIZ-UHFFFAOYSA-N
XLogP3.51
TPSA104.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 6217000
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4964837
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4964394
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 71826977
2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 155486631
(3S)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 125122527
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 71754681

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 8016363) is 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc(O)c(C)c4oc3=O)c2c1.
What is the InChIKey of 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is VBRKONHXGFTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-13-17-5-7-21(27)14(2)23(17)31-24(29)18(13)11-22(28)25-9-8-15-12-26-20-6-4-16(30-3)10-19(15)20/h4-7,10,12,26-27H,8-9,11H2,1-3H3,(H,25,28).
What are the key properties of 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 8016363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).