2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide

C20H24N2O5 — CID 142401642

IUPAC2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ccc(OC)cc2OC)c(C=O)c1
InChIInChI=1S/C20H24N2O5/c1-22(11-14-5-6-17(26-3)10-19(14)27-4)12-20(24)21-18-8-7-16(25-2)9-15(18)13-23/h5-10,13H,11-12H2,1-4H3,(H,21,24)
InChIKeyOGCZFPJNQSWTKM-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.60
Rot. Bonds9

About 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide (PubChem CID 142401642) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide
PubChem CID142401642
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ccc(OC)cc2OC)c(C=O)c1
InChIInChI=1S/C20H24N2O5/c1-22(11-14-5-6-17(26-3)10-19(14)27-4)12-20(24)21-18-8-7-16(25-2)9-15(18)13-23/h5-10,13H,11-12H2,1-4H3,(H,21,24)
InChIKeyOGCZFPJNQSWTKM-UHFFFAOYSA-N
XLogP2.60
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657594
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide
CID 8845928
N-(4-acetylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101527
N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101281
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2698960
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155963
2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 18078781
N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
N-(benzylcarbamoyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698946
2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9251366

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide (CID 142401642) is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)Cc2ccc(OC)cc2OC)c(C=O)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide?
The InChIKey is OGCZFPJNQSWTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-22(11-14-5-6-17(26-3)10-19(14)27-4)12-20(24)21-18-8-7-16(25-2)9-15(18)13-23/h5-10,13H,11-12H2,1-4H3,(H,21,24).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide?
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide has a molecular weight of 372.42 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide is sourced from PubChem (CID 142401642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).