N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide

C20H22N2O2 — CID 4047587

IUPACN-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide
SMILESCc1cc2ccccc2n1CCNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15-14-17-8-6-7-11-19(17)22(15)13-12-21-20(23)16(2)24-18-9-4-3-5-10-18/h3-11,14,16H,12-13H2,1-2H3,(H,21,23)
InChIKeyCRHFPPSUQGVFCL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide

N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide (PubChem CID 4047587) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide
PubChem CID4047587
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide
SMILESCc1cc2ccccc2n1CCNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15-14-17-8-6-7-11-19(17)22(15)13-12-21-20(23)16(2)24-18-9-4-3-5-10-18/h3-11,14,16H,12-13H2,1-2H3,(H,21,23)
InChIKeyCRHFPPSUQGVFCL-UHFFFAOYSA-N
XLogP3.53
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide (CID 4047587) is N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide is Cc1cc2ccccc2n1CCNC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide?
The InChIKey is CRHFPPSUQGVFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-14-17-8-6-7-11-19(17)22(15)13-12-21-20(23)16(2)24-18-9-4-3-5-10-18/h3-11,14,16H,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide?
N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide has a molecular weight of 322.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 4047587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).