N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide

C16H26N2O3 — CID 106140185

IUPACN-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)(C)CCN)cc1OC
InChIInChI=1S/C16H26N2O3/c1-16(2,7-8-17)11-18-15(19)10-12-5-6-13(20-3)14(9-12)21-4/h5-6,9H,7-8,10-11,17H2,1-4H3,(H,18,19)
InChIKeyVBRMZVDOMMDZPP-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.74
Rot. Bonds8

About N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide

N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 106140185) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID106140185
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)(C)CCN)cc1OC
InChIInChI=1S/C16H26N2O3/c1-16(2,7-8-17)11-18-15(19)10-12-5-6-13(20-3)14(9-12)21-4/h5-6,9H,7-8,10-11,17H2,1-4H3,(H,18,19)
InChIKeyVBRMZVDOMMDZPP-UHFFFAOYSA-N
XLogP1.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 106140187
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119641340
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 52992765
N-(4-amino-2,2-dimethylbutyl)-2-naphthalen-2-ylacetamide
CID 106139776
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813750
2-(3,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82725203
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498248
2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide
CID 129259478

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide (CID 106140185) is N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(C)(C)CCN)cc1OC.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is VBRMZVDOMMDZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,7-8-17)11-18-15(19)10-12-5-6-13(20-3)14(9-12)21-4/h5-6,9H,7-8,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 106140185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).