5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one

C16H25NO2 — CID 115236416

IUPAC5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one
SMILESCOc1cc(C)c(N(C)CCCC(C)=O)c(C)c1C
InChIInChI=1S/C16H25NO2/c1-11-10-15(19-6)13(3)14(4)16(11)17(5)9-7-8-12(2)18/h10H,7-9H2,1-6H3
InChIKeyHHJLKZDQUGZFAT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.43
Rot. Bonds6

About 5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one

5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one (PubChem CID 115236416) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one.

Molecular Properties

Compound Name5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one
PubChem CID115236416
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one
SMILESCOc1cc(C)c(N(C)CCCC(C)=O)c(C)c1C
InChIInChI=1S/C16H25NO2/c1-11-10-15(19-6)13(3)14(4)16(11)17(5)9-7-8-12(2)18/h10H,7-9H2,1-6H3
InChIKeyHHJLKZDQUGZFAT-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxy-N,2,5-trimethylanilino)pentan-2-one
CID 115236337
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one
CID 115235550
5-(3-bromo-4-methoxy-N-methylanilino)pentan-2-one
CID 115236332
1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
4-(5-chloro-2-methoxy-N,4-dimethylanilino)butan-2-one
CID 115235517
6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751
2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
2-amino-3-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylpropanamide
CID 115179793
1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one
CID 115234582

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one?
The IUPAC name of 5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one (CID 115236416) is 5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one.
What is the SMILES notation for 5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one?
The canonical SMILES for 5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one is COc1cc(C)c(N(C)CCCC(C)=O)c(C)c1C.
What is the InChIKey of 5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one?
The InChIKey is HHJLKZDQUGZFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-10-15(19-6)13(3)14(4)16(11)17(5)9-7-8-12(2)18/h10H,7-9H2,1-6H3.
What are the key properties of 5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one?
5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one is sourced from PubChem (CID 115236416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).