N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide

C20H22N2O2 — CID 6498719

IUPACN-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide
SMILESCCn1c(CNC(=O)C(C)Oc2ccccc2)cc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-3-22-17(13-16-9-7-8-12-19(16)22)14-21-20(23)15(2)24-18-10-5-4-6-11-18/h4-13,15H,3,14H2,1-2H3,(H,21,23)
InChIKeyZWQVVSCUDGFDDV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.74
Rot. Bonds6

About N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide

N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide (PubChem CID 6498719) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide
PubChem CID6498719
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide
SMILESCCn1c(CNC(=O)C(C)Oc2ccccc2)cc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-3-22-17(13-16-9-7-8-12-19(16)22)14-21-20(23)15(2)24-18-10-5-4-6-11-18/h4-13,15H,3,14H2,1-2H3,(H,21,23)
InChIKeyZWQVVSCUDGFDDV-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-phenoxypropanamide
CID 4282518
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
CID 55408770
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide (CID 6498719) is N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide is CCn1c(CNC(=O)C(C)Oc2ccccc2)cc2ccccc21.
What is the InChIKey of N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide?
The InChIKey is ZWQVVSCUDGFDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-22-17(13-16-9-7-8-12-19(16)22)14-21-20(23)15(2)24-18-10-5-4-6-11-18/h4-13,15H,3,14H2,1-2H3,(H,21,23).
What are the key properties of N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide?
N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide has a molecular weight of 322.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 6498719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).