N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide

C12H15NO3 — CID 84787877

IUPACN-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide
SMILESCOc1c(NC(C)=O)cc(C)c(C)c1C=O
InChIInChI=1S/C12H15NO3/c1-7-5-11(13-9(3)15)12(16-4)10(6-14)8(7)2/h5-6H,1-4H3,(H,13,15)
InChIKeyCIYVNMKQTPXWOA-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.08
Rot. Bonds3

About N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide

N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide (PubChem CID 84787877) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide
PubChem CID84787877
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide
SMILESCOc1c(NC(C)=O)cc(C)c(C)c1C=O
InChIInChI=1S/C12H15NO3/c1-7-5-11(13-9(3)15)12(16-4)10(6-14)8(7)2/h5-6H,1-4H3,(H,13,15)
InChIKeyCIYVNMKQTPXWOA-UHFFFAOYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(5-formyl-2-methoxy-3-methylphenyl)acetamide
CID 84779465
N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide
CID 84798473
N-(4-formyl-2,3-dimethoxyphenyl)acetamide
CID 84788904
tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate
CID 84812678
N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide
CID 84798477
N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide
CID 96676162
N-(2-formyl-6-methoxy-3-methylphenyl)acetamide
CID 84779440
N-(3-acetamido-2-formylphenyl)acetamide
CID 54088843
2,3-dimethoxy-4,5-dimethylbenzaldehyde
CID 66545575
N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide
CID 115175414

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide?
The IUPAC name of N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide (CID 84787877) is N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide is COc1c(NC(C)=O)cc(C)c(C)c1C=O.
What is the InChIKey of N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide?
The InChIKey is CIYVNMKQTPXWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7-5-11(13-9(3)15)12(16-4)10(6-14)8(7)2/h5-6H,1-4H3,(H,13,15).
What are the key properties of N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide?
N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide has a molecular weight of 221.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide is sourced from PubChem (CID 84787877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).