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

C24H24N2O4 — CID 4837681

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1c(C)c2ccc(OCC(=O)NCCc3c[nH]c4ccccc34)c(C)c2oc1=O
InChIInChI=1S/C24H24N2O4/c1-14-15(2)24(28)30-23-16(3)21(9-8-18(14)23)29-13-22(27)25-11-10-17-12-26-20-7-5-4-6-19(17)20/h4-9,12,26H,10-11,13H2,1-3H3,(H,25,27)
InChIKeyFDYQXCORWIBLAG-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.94
Rot. Bonds6

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

N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 4837681) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID4837681
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1c(C)c2ccc(OCC(=O)NCCc3c[nH]c4ccccc34)c(C)c2oc1=O
InChIInChI=1S/C24H24N2O4/c1-14-15(2)24(28)30-23-16(3)21(9-8-18(14)23)29-13-22(27)25-11-10-17-12-26-20-7-5-4-6-19(17)20/h4-9,12,26H,10-11,13H2,1-3H3,(H,25,27)
InChIKeyFDYQXCORWIBLAG-UHFFFAOYSA-N
XLogP3.94
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.94
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

N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 17403987
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 27644530
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4900576
2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 8016363
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate
CID 9202567
7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8832763
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4964394
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 9229214

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide (CID 4837681) is N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide is Cc1c(C)c2ccc(OCC(=O)NCCc3c[nH]c4ccccc34)c(C)c2oc1=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is FDYQXCORWIBLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-14-15(2)24(28)30-23-16(3)21(9-8-18(14)23)29-13-22(27)25-11-10-17-12-26-20-7-5-4-6-19(17)20/h4-9,12,26H,10-11,13H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 404.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 4837681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).