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

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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).