5-(2,5-dimethoxy-N-methylanilino)pentan-2-one

C14H21NO3 — CID 115236316

IUPAC5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
SMILESCOc1ccc(OC)c(N(C)CCCC(C)=O)c1
InChIInChI=1S/C14H21NO3/c1-11(16)6-5-9-15(2)13-10-12(17-3)7-8-14(13)18-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyNGTIEJHYLSYMTG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.51
Rot. Bonds7

About 5-(2,5-dimethoxy-N-methylanilino)pentan-2-one

5-(2,5-dimethoxy-N-methylanilino)pentan-2-one (PubChem CID 115236316) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(2,5-dimethoxy-N-methylanilino)pentan-2-one.

Molecular Properties

Compound Name5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
PubChem CID115236316
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
SMILESCOc1ccc(OC)c(N(C)CCCC(C)=O)c1
InChIInChI=1S/C14H21NO3/c1-11(16)6-5-9-15(2)13-10-12(17-3)7-8-14(13)18-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyNGTIEJHYLSYMTG-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
CID 115217449
5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236571
4-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 100521188
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
5-(4-methoxy-N,2,5-trimethylanilino)pentan-2-one
CID 115236337
5-(3-bromo-4-methoxy-N-methylanilino)pentan-2-one
CID 115236332
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
4-(5-bromo-2-methoxy-N-methylanilino)butanoic acid
CID 115218519
4-(2,5-dimethoxy-N-propylanilino)butanoic acid
CID 100521422
5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one
CID 115236416
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
CID 115167004

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxy-N-methylanilino)pentan-2-one?
The IUPAC name of 5-(2,5-dimethoxy-N-methylanilino)pentan-2-one (CID 115236316) is 5-(2,5-dimethoxy-N-methylanilino)pentan-2-one.
What is the SMILES notation for 5-(2,5-dimethoxy-N-methylanilino)pentan-2-one?
The canonical SMILES for 5-(2,5-dimethoxy-N-methylanilino)pentan-2-one is COc1ccc(OC)c(N(C)CCCC(C)=O)c1.
What is the InChIKey of 5-(2,5-dimethoxy-N-methylanilino)pentan-2-one?
The InChIKey is NGTIEJHYLSYMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(16)6-5-9-15(2)13-10-12(17-3)7-8-14(13)18-4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 5-(2,5-dimethoxy-N-methylanilino)pentan-2-one?
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one has a molecular weight of 251.33 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxy-N-methylanilino)pentan-2-one is sourced from PubChem (CID 115236316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).