1-(4,5-dimethoxy-2-methylanilino)propan-2-one

C12H17NO3 — CID 115234469

IUPAC1-(4,5-dimethoxy-2-methylanilino)propan-2-one
SMILESCOc1cc(C)c(NCC(C)=O)cc1OC
InChIInChI=1S/C12H17NO3/c1-8-5-11(15-3)12(16-4)6-10(8)13-7-9(2)14/h5-6,13H,7H2,1-4H3
InChIKeyMUYQAYAFPLZOJR-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.01
Rot. Bonds5

About 1-(4,5-dimethoxy-2-methylanilino)propan-2-one

1-(4,5-dimethoxy-2-methylanilino)propan-2-one (PubChem CID 115234469) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylanilino)propan-2-one.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylanilino)propan-2-one
PubChem CID115234469
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(4,5-dimethoxy-2-methylanilino)propan-2-one
SMILESCOc1cc(C)c(NCC(C)=O)cc1OC
InChIInChI=1S/C12H17NO3/c1-8-5-11(15-3)12(16-4)6-10(8)13-7-9(2)14/h5-6,13H,7H2,1-4H3
InChIKeyMUYQAYAFPLZOJR-UHFFFAOYSA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-2,5-dimethylanilino)acetic acid
CID 82492559
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol
CID 115136773
2-(4,5-dimethoxy-2-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9105343
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
3-amino-4-(4,5-dimethoxy-2-methylanilino)butanoic acid
CID 115241480
2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
CID 82501882
1-(2,4,6-trimethoxyanilino)propan-2-one
CID 115234477
1-(4,5-dimethoxy-2-methylphenyl)butane-1,3-dione
CID 116919445

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylanilino)propan-2-one?
The IUPAC name of 1-(4,5-dimethoxy-2-methylanilino)propan-2-one (CID 115234469) is 1-(4,5-dimethoxy-2-methylanilino)propan-2-one.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylanilino)propan-2-one?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylanilino)propan-2-one is COc1cc(C)c(NCC(C)=O)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylanilino)propan-2-one?
The InChIKey is MUYQAYAFPLZOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-5-11(15-3)12(16-4)6-10(8)13-7-9(2)14/h5-6,13H,7H2,1-4H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylanilino)propan-2-one?
1-(4,5-dimethoxy-2-methylanilino)propan-2-one has a molecular weight of 223.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylanilino)propan-2-one is sourced from PubChem (CID 115234469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).