N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide

C20H22N2O2 — CID 4200910

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide
SMILESCc1cc2cc(CNC(=O)C(C)Oc3ccccc3)ccc2n1C
InChIInChI=1S/C20H22N2O2/c1-14-11-17-12-16(9-10-19(17)22(14)3)13-21-20(23)15(2)24-18-7-5-4-6-8-18/h4-12,15H,13H2,1-3H3,(H,21,23)
InChIKeyOTWHUQHQHKWLSZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.57
Rot. Bonds5

About N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide

N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide (PubChem CID 4200910) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide
PubChem CID4200910
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide
SMILESCc1cc2cc(CNC(=O)C(C)Oc3ccccc3)ccc2n1C
InChIInChI=1S/C20H22N2O2/c1-14-11-17-12-16(9-10-19(17)22(14)3)13-21-20(23)15(2)24-18-7-5-4-6-8-18/h4-12,15H,13H2,1-3H3,(H,21,23)
InChIKeyOTWHUQHQHKWLSZ-UHFFFAOYSA-N
XLogP3.57
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

GR 46611
CID 6160690
N-{4-[3-(9H-carbazol-9-yl)-2-hydroxypropoxy]phenyl}acetamide
CID 3124282
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-aminomethyl-phenyl)-piperazin-1-yl]-ethanone
CID 10250834
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-(9-ethyl-9H-carbazol-3-yl)-2-phenoxyacetamide
CID 1717907
N-[(1,2-dimethyl-1H-indol-5-yl)methyl]-3-methoxybenzamide
CID 5064384
N-[2-(6-methoxy-2-phenylindol-1-yl)ethyl]propanamide
CID 10448812
N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]indol-11-yl)-ethyl]-propionamide
CID 10617720
1-(2,3-Dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
CID 2461903
N-(4-methoxyphenyl)-3-(3-methylindol-1-yl)propanamide
CID 2809950
N-(2-ethoxybenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 4429356
N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide
CID 4606333

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide (CID 4200910) is N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide is Cc1cc2cc(CNC(=O)C(C)Oc3ccccc3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide?
The InChIKey is OTWHUQHQHKWLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-11-17-12-16(9-10-19(17)22(14)3)13-21-20(23)15(2)24-18-7-5-4-6-8-18/h4-12,15H,13H2,1-3H3,(H,21,23).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide?
N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide has a molecular weight of 322.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 4200910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).