N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide

C14H19NO4 — CID 21082663

IUPACN-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide
SMILESCOCOc1cccc(NC(=O)C(C)(C)C)c1C=O
InChIInChI=1S/C14H19NO4/c1-14(2,3)13(17)15-11-6-5-7-12(10(11)8-16)19-9-18-4/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyDUYMICJYPJVUJI-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.47
Rot. Bonds5

About N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide

N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide (PubChem CID 21082663) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide
PubChem CID21082663
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide
SMILESCOCOc1cccc(NC(=O)C(C)(C)C)c1C=O
InChIInChI=1S/C14H19NO4/c1-14(2,3)13(17)15-11-6-5-7-12(10(11)8-16)19-9-18-4/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyDUYMICJYPJVUJI-UHFFFAOYSA-N
XLogP2.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,2-dimethylpropanoylamino)-2-formylphenoxy]acetic acid
CID 21082629
N-(2-ethenyl-3-methoxyphenyl)-2,2-dimethylpropanamide
CID 20571856
2-ethyl-6-(methoxymethoxy)benzaldehyde
CID 59509177
N-(2-formyl-3-pyridinyl)-2,2-dimethylpropanamide
CID 121217282
N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 118192456
N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 118192895
(3-acetamido-2-formylphenyl) 5-(3-acetamido-2-formylphenoxy)pentanoate
CID 88691780
2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
N-[2-(2-hydroxypropyl)-3-methoxyphenyl]-2,2-dimethylpropanamide
CID 66977950
3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde
CID 135012085

Frequently Asked Questions

What is the IUPAC name of N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide (CID 21082663) is N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide is COCOc1cccc(NC(=O)C(C)(C)C)c1C=O.
What is the InChIKey of N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide?
The InChIKey is DUYMICJYPJVUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)13(17)15-11-6-5-7-12(10(11)8-16)19-9-18-4/h5-8H,9H2,1-4H3,(H,15,17).
What are the key properties of N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide?
N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 21082663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).