N-(5-formyl-2-methoxy-3-methylphenyl)acetamide

C11H13NO3 — CID 84779465

IUPACN-(5-formyl-2-methoxy-3-methylphenyl)acetamide
SMILESCOc1c(C)cc(C=O)cc1NC(C)=O
InChIInChI=1S/C11H13NO3/c1-7-4-9(6-13)5-10(11(7)15-3)12-8(2)14/h4-6H,1-3H3,(H,12,14)
InChIKeyVPAVKPWTYHATHI-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.77
Rot. Bonds3

About N-(5-formyl-2-methoxy-3-methylphenyl)acetamide

N-(5-formyl-2-methoxy-3-methylphenyl)acetamide (PubChem CID 84779465) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(5-formyl-2-methoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-formyl-2-methoxy-3-methylphenyl)acetamide
PubChem CID84779465
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(5-formyl-2-methoxy-3-methylphenyl)acetamide
SMILESCOc1c(C)cc(C=O)cc1NC(C)=O
InChIInChI=1S/C11H13NO3/c1-7-4-9(6-13)5-10(11(7)15-3)12-8(2)14/h4-6H,1-3H3,(H,12,14)
InChIKeyVPAVKPWTYHATHI-UHFFFAOYSA-N
XLogP1.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.77
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-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide
CID 84787877
bis(4-formyl-2,6-dimethylphenyl) carbonate
CID 10019268
3-fluoro-4-methoxy-5-methylbenzaldehyde
CID 83827035
N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide
CID 23520857
N-(4-formyl-2,3-dimethoxyphenyl)acetamide
CID 84788904
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
N'-(2-methoxy-3,5-dimethylphenyl)oxamide
CID 115191556
2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 7696129
5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 125494637
(2-acetyloxy-5-formyl-3-methylphenyl) acetate
CID 57482558
formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 87613103
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-2-methoxy-3-methylphenyl)acetamide?
The IUPAC name of N-(5-formyl-2-methoxy-3-methylphenyl)acetamide (CID 84779465) is N-(5-formyl-2-methoxy-3-methylphenyl)acetamide.
What is the SMILES notation for N-(5-formyl-2-methoxy-3-methylphenyl)acetamide?
The canonical SMILES for N-(5-formyl-2-methoxy-3-methylphenyl)acetamide is COc1c(C)cc(C=O)cc1NC(C)=O.
What is the InChIKey of N-(5-formyl-2-methoxy-3-methylphenyl)acetamide?
The InChIKey is VPAVKPWTYHATHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-4-9(6-13)5-10(11(7)15-3)12-8(2)14/h4-6H,1-3H3,(H,12,14).
What are the key properties of N-(5-formyl-2-methoxy-3-methylphenyl)acetamide?
N-(5-formyl-2-methoxy-3-methylphenyl)acetamide has a molecular weight of 207.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-2-methoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 84779465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).