4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one

C14H21NO4 — CID 115235550

IUPAC4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one
SMILESCOc1cc(OC)c(N(C)CCC(C)=O)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-10(16)6-7-15(2)14-12(18-4)8-11(17-3)9-13(14)19-5/h8-9H,6-7H2,1-5H3
InChIKeyFMMDETPOVPOSEE-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.13
Rot. Bonds7

About 4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one

4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one (PubChem CID 115235550) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one.

Molecular Properties

Compound Name4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one
PubChem CID115235550
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one
SMILESCOc1cc(OC)c(N(C)CCC(C)=O)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-10(16)6-7-15(2)14-12(18-4)8-11(17-3)9-13(14)19-5/h8-9H,6-7H2,1-5H3
InChIKeyFMMDETPOVPOSEE-UHFFFAOYSA-N
XLogP2.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
4-(5-chloro-2-methoxy-N,4-dimethylanilino)butan-2-one
CID 115235517
5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one
CID 115236416
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162936
5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236571
2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
CID 115258433
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride
CID 115194561

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one?
The IUPAC name of 4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one (CID 115235550) is 4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one.
What is the SMILES notation for 4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one?
The canonical SMILES for 4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one is COc1cc(OC)c(N(C)CCC(C)=O)c(OC)c1.
What is the InChIKey of 4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one?
The InChIKey is FMMDETPOVPOSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(16)6-7-15(2)14-12(18-4)8-11(17-3)9-13(14)19-5/h8-9H,6-7H2,1-5H3.
What are the key properties of 4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one?
4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one has a molecular weight of 267.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one is sourced from PubChem (CID 115235550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).