benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium

C20H27N2O3+ — CID 7343514

IUPACbenzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium
SMILESCC[NH+](CCC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)11-10-20(23)21-17-12-18(24-2)14-19(13-17)25-3/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,21,23)/p+1
InChIKeyCSVSFHSGBPJYKL-UHFFFAOYSA-O
MW343.45 g/mol
LogP2.14
Rot. Bonds9

About benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium

benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium (PubChem CID 7343514) has the molecular formula C20H27N2O3+ and a molecular weight of 343.45 g/mol. Its IUPAC name is benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium.

Molecular Properties

Compound Namebenzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium
PubChem CID7343514
Molecular FormulaC20H27N2O3+
Molecular Weight343.45 g/mol
Exact Mass343.20
IUPAC Namebenzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium
SMILESCC[NH+](CCC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)11-10-20(23)21-17-12-18(24-2)14-19(13-17)25-3/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,21,23)/p+1
InChIKeyCSVSFHSGBPJYKL-UHFFFAOYSA-O
XLogP2.14
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
CID 1340180
benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541556
butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium
CID 2171394
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541687
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 51134992
N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55853187

Frequently Asked Questions

What is the IUPAC name of benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium?
The IUPAC name of benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium (CID 7343514) is benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium.
What is the SMILES notation for benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium?
The canonical SMILES for benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium is CC[NH+](CCC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1.
What is the InChIKey of benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium?
The InChIKey is CSVSFHSGBPJYKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)11-10-20(23)21-17-12-18(24-2)14-19(13-17)25-3/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,21,23)/p+1.
What are the key properties of benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium?
benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium has a molecular weight of 343.45 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium is sourced from PubChem (CID 7343514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).