N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide

C20H24N2O4 — CID 113217130

IUPACN-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc(CCNC(=O)N2CCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H24N2O4/c1-24-17-12-14(13-18(25-2)19(17)26-3)8-10-21-20(23)22-11-9-15-6-4-5-7-16(15)22/h4-7,12-13H,8-11H2,1-3H3,(H,21,23)
InChIKeyITFCKJAKYNDSTQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide

N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 113217130) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide
PubChem CID113217130
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc(CCNC(=O)N2CCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H24N2O4/c1-24-17-12-14(13-18(25-2)19(17)26-3)8-10-21-20(23)22-11-9-15-6-4-5-7-16(15)22/h4-7,12-13H,8-11H2,1-3H3,(H,21,23)
InChIKeyITFCKJAKYNDSTQ-UHFFFAOYSA-N
XLogP3.03
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113217131
2-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506307
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
N-[2-(3-fluorophenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 108901276
2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 46613887
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112971555
methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate
CID 60591298
(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one
CID 2455303
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 38748683
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108507503
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111589110

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide (CID 113217130) is N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide is COc1cc(CCNC(=O)N2CCc3ccccc32)cc(OC)c1OC.
What is the InChIKey of N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is ITFCKJAKYNDSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-17-12-14(13-18(25-2)19(17)26-3)8-10-21-20(23)22-11-9-15-6-4-5-7-16(15)22/h4-7,12-13H,8-11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide?
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 113217130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).