N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide

C28H30N2O4 — CID 55344874

IUPACN-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCOc1cccc(C(CNC(=O)C(C)Oc2cccc(C)c2)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C28H30N2O4/c1-18-9-7-10-20(15-18)34-19(2)28(31)30-17-24(22-12-8-14-26(32-3)27(22)33-4)23-16-29-25-13-6-5-11-21(23)25/h5-16,19,24,29H,17H2,1-4H3,(H,30,31)
InChIKeyNMCFZDYBPREOQU-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.21
Rot. Bonds9

About N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide

N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide (PubChem CID 55344874) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide
PubChem CID55344874
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC NameN-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCOc1cccc(C(CNC(=O)C(C)Oc2cccc(C)c2)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C28H30N2O4/c1-18-9-7-10-20(15-18)34-19(2)28(31)30-17-24(22-12-8-14-26(32-3)27(22)33-4)23-16-29-25-13-6-5-11-21(23)25/h5-16,19,24,29H,17H2,1-4H3,(H,30,31)
InChIKeyNMCFZDYBPREOQU-UHFFFAOYSA-N
XLogP5.21
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(3-methylphenoxy)propanamide
CID 55329101
2-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983696
2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide
CID 55344788
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119681775
methyl (2S)-2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]propanoate
CID 8645460
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]pentanamide
CID 43003960
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-2-methoxybenzamide
CID 55512740
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]cyclopentanecarboxamide
CID 51158225
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
CID 60589031
5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 55364664
4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119267144
ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 46445794

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide (CID 55344874) is N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide is COc1cccc(C(CNC(=O)C(C)Oc2cccc(C)c2)c2c[nH]c3ccccc23)c1OC.
What is the InChIKey of N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is NMCFZDYBPREOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-18-9-7-10-20(15-18)34-19(2)28(31)30-17-24(22-12-8-14-26(32-3)27(22)33-4)23-16-29-25-13-6-5-11-21(23)25/h5-16,19,24,29H,17H2,1-4H3,(H,30,31).
What are the key properties of N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide?
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 458.56 g/mol, XLogP of 5.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 55344874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).