butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium

C16H27N2O3+ — CID 2171394

IUPACbutyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium
SMILESCCCC[NH+](C)CCC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-6-8-18(2)9-7-16(19)17-13-10-14(20-3)12-15(11-13)21-4/h10-12H,5-9H2,1-4H3,(H,17,19)/p+1
InChIKeyBAEAAVLSUZLUEP-UHFFFAOYSA-O
MW295.40 g/mol
LogP1.35
Rot. Bonds9

About butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium

butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium (PubChem CID 2171394) has the molecular formula C16H27N2O3+ and a molecular weight of 295.40 g/mol. Its IUPAC name is butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium.

Molecular Properties

Compound Namebutyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium
PubChem CID2171394
Molecular FormulaC16H27N2O3+
Molecular Weight295.40 g/mol
Exact Mass295.20
IUPAC Namebutyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium
SMILESCCCC[NH+](C)CCC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-6-8-18(2)9-7-16(19)17-13-10-14(20-3)12-15(11-13)21-4/h10-12H,5-9H2,1-4H3,(H,17,19)/p+1
InChIKeyBAEAAVLSUZLUEP-UHFFFAOYSA-O
XLogP1.35
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium
CID 7343514
1-butyl-3-(3,5-dimethoxyphenyl)urea
CID 47103671
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide
CID 7602926
N-(3,5-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 71924471
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,5-dimethoxyphenyl)butanamide
CID 8835295
2-(tert-butylamino)-N-(3,5-dimethoxyphenyl)acetamide
CID 27150052
N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide
CID 3759124
N-butyl-2-(3,5-dimethoxyanilino)acetamide
CID 32913276
4-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]-methylamino]butanoic acid
CID 119994299
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23973490

Frequently Asked Questions

What is the IUPAC name of butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium?
The IUPAC name of butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium (CID 2171394) is butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium.
What is the SMILES notation for butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium?
The canonical SMILES for butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium is CCCC[NH+](C)CCC(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium?
The InChIKey is BAEAAVLSUZLUEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H26N2O3/c1-5-6-8-18(2)9-7-16(19)17-13-10-14(20-3)12-15(11-13)21-4/h10-12H,5-9H2,1-4H3,(H,17,19)/p+1.
What are the key properties of butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium?
butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium has a molecular weight of 295.40 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-methylazanium is sourced from PubChem (CID 2171394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).