N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide

C22H26N2O3 — CID 20899802

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
SMILESCCn1cc(CCC(=O)NCc2cccc(OC)c2OC)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-4-24-15-17(18-9-5-6-10-19(18)24)12-13-21(25)23-14-16-8-7-11-20(26-2)22(16)27-3/h5-11,15H,4,12-14H2,1-3H3,(H,23,25)
InChIKeyAAQQODUBBVVLRP-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.93
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide

N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide (PubChem CID 20899802) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
PubChem CID20899802
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
SMILESCCn1cc(CCC(=O)NCc2cccc(OC)c2OC)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-4-24-15-17(18-9-5-6-10-19(18)24)12-13-21(25)23-14-16-8-7-11-20(26-2)22(16)27-3/h5-11,15H,4,12-14H2,1-3H3,(H,23,25)
InChIKeyAAQQODUBBVVLRP-UHFFFAOYSA-N
XLogP3.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899973
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899811
N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899803
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide
CID 5165253
3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 22108283
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
3-(2,3-dimethoxyphenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9481076
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide (CID 20899802) is N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide is CCn1cc(CCC(=O)NCc2cccc(OC)c2OC)c2ccccc21.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
The InChIKey is AAQQODUBBVVLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-24-15-17(18-9-5-6-10-19(18)24)12-13-21(25)23-14-16-8-7-11-20(26-2)22(16)27-3/h5-11,15H,4,12-14H2,1-3H3,(H,23,25).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide is sourced from PubChem (CID 20899802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).