2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

C24H24N2O5 — CID 4964394

IUPAC2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCOc1cc(OC)c2c(C)c(CC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
InChIInChI=1S/C24H24N2O5/c1-14-18(24(28)31-21-11-16(29-2)10-20(30-3)23(14)21)12-22(27)25-9-8-15-13-26-19-7-5-4-6-17(15)19/h4-7,10-11,13,26H,8-9,12H2,1-3H3,(H,25,27)
InChIKeyOOFINGSIAMQRHH-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.50
Rot. Bonds7

About 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 4964394) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID4964394
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCOc1cc(OC)c2c(C)c(CC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
InChIInChI=1S/C24H24N2O5/c1-14-18(24(28)31-21-11-16(29-2)10-20(30-3)23(14)21)12-22(27)25-9-8-15-13-26-19-7-5-4-6-17(15)19/h4-7,10-11,13,26H,8-9,12H2,1-3H3,(H,25,27)
InChIKeyOOFINGSIAMQRHH-UHFFFAOYSA-N
XLogP3.50
TPSA93.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.50
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

2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4837385
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 56763626
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 4869246
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 4914133
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
CID 154925442
2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 8016363
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-phenylacetic acid
CID 4303543
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-(4-fluorophenyl)acetamide
CID 4971132
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
3-(4-hydroxy-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 91973680

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 4964394) is 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is COc1cc(OC)c2c(C)c(CC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1.
What is the InChIKey of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is OOFINGSIAMQRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14-18(24(28)31-21-11-16(29-2)10-20(30-3)23(14)21)12-22(27)25-9-8-15-13-26-19-7-5-4-6-17(15)19/h4-7,10-11,13,26H,8-9,12H2,1-3H3,(H,25,27).
What are the key properties of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 4964394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).