N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide

C14H19NO3 — CID 14713110

IUPACN-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C)c(C=O)c1
InChIInChI=1S/C14H19NO3/c1-14(2,3)13(17)15-8-10-5-6-12(18-4)7-11(10)9-16/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyYVQJMMYBECZNHN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds4

About N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide

N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide (PubChem CID 14713110) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
PubChem CID14713110
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C)c(C=O)c1
InChIInChI=1S/C14H19NO3/c1-14(2,3)13(17)15-8-10-5-6-12(18-4)7-11(10)9-16/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyYVQJMMYBECZNHN-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
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

methyl 3-(2-formyl-4-methoxyphenyl)propanoate
CID 87139942
2-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594
2-(2-formyl-4-methoxyphenyl)acetonitrile
CID 55265214
2-butyl-5-methoxybenzaldehyde
CID 10631601
2-(2,2-dimethylpropanoyl)-4-methoxybenzaldehyde
CID 173118592
tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 130363598
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 160974757
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide
CID 120587952
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169465711
5-methoxy-2-(piperazin-1-ylmethyl)benzaldehyde
CID 117340822

Frequently Asked Questions

What is the IUPAC name of N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide (CID 14713110) is N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide is COc1ccc(CNC(=O)C(C)(C)C)c(C=O)c1.
What is the InChIKey of N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is YVQJMMYBECZNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)13(17)15-8-10-5-6-12(18-4)7-11(10)9-16/h5-7,9H,8H2,1-4H3,(H,15,17).
What are the key properties of N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 14713110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).