N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

C23H29N3O4 — CID 46438107

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCCN(CCNC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1)c1cccc(C)c1
InChIInChI=1S/C23H29N3O4/c1-6-26(16-9-7-8-15(2)12-16)11-10-24-23(27)18-13-17-19(28-3)14-20(29-4)22(30-5)21(17)25-18/h7-9,12-14,25H,6,10-11H2,1-5H3,(H,24,27)
InChIKeyVSRORJWJBYBOAT-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.76
Rot. Bonds9

About N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 46438107) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID46438107
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCCN(CCNC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1)c1cccc(C)c1
InChIInChI=1S/C23H29N3O4/c1-6-26(16-9-7-8-15(2)12-16)11-10-24-23(27)18-13-17-19(28-3)14-20(29-4)22(30-5)21(17)25-18/h7-9,12-14,25H,6,10-11H2,1-5H3,(H,24,27)
InChIKeyVSRORJWJBYBOAT-UHFFFAOYSA-N
XLogP3.76
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 8909756
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 134061330
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 3730125
4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 39904436
2-(5-acetyl-2-methoxyphenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 39910739
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 31953617
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide
CID 52754815
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 46438107) is N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is CCN(CCNC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is VSRORJWJBYBOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-6-26(16-9-7-8-15(2)12-16)11-10-24-23(27)18-13-17-19(28-3)14-20(29-4)22(30-5)21(17)25-18/h7-9,12-14,25H,6,10-11H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 46438107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).