5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide

C24H24N2O4 — CID 77386847

IUPAC5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NC(C)c3cccc4ccccc34)[nH]c2c(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-14(17-11-7-9-15-8-5-6-10-18(15)17)25-24(27)19-12-16-13-20(28-2)22(29-3)23(30-4)21(16)26-19/h5-14,26H,1-4H3,(H,25,27)
InChIKeyICBOIGWFEZNUBV-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.84
Rot. Bonds6

About 5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide

5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide (PubChem CID 77386847) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide
PubChem CID77386847
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NC(C)c3cccc4ccccc34)[nH]c2c(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-14(17-11-7-9-15-8-5-6-10-18(15)17)25-24(27)19-12-16-13-20(28-2)22(29-3)23(30-4)21(16)26-19/h5-14,26H,1-4H3,(H,25,27)
InChIKeyICBOIGWFEZNUBV-UHFFFAOYSA-N
XLogP4.84
TPSA72.58 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 ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide
CID 43074909
N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide
CID 110848409
N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 42580675
5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 29129962
N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 47027000
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 11293471
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 45370022
3-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663073
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
4-[(2S)-2-[(4-hydroxy-3-methoxyphenyl)methylamino]propyl]-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 67930929

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide (CID 77386847) is 5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide is COc1cc2cc(C(=O)NC(C)c3cccc4ccccc34)[nH]c2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is ICBOIGWFEZNUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-14(17-11-7-9-15-8-5-6-10-18(15)17)25-24(27)19-12-16-13-20(28-2)22(29-3)23(30-4)21(16)26-19/h5-14,26H,1-4H3,(H,25,27).
What are the key properties of 5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide?
5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 77386847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).