3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide

C14H22N2O2 — CID 115154505

IUPAC3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
SMILESCOc1c(C)cc(C)cc1NC(=O)C(C)(C)CN
InChIInChI=1S/C14H22N2O2/c1-9-6-10(2)12(18-5)11(7-9)16-13(17)14(3,4)8-15/h6-7H,8,15H2,1-5H3,(H,16,17)
InChIKeyIBGKOPRNNIDSTP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.24
Rot. Bonds4

About 3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide

3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide (PubChem CID 115154505) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
PubChem CID115154505
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
SMILESCOc1c(C)cc(C)cc1NC(=O)C(C)(C)CN
InChIInChI=1S/C14H22N2O2/c1-9-6-10(2)12(18-5)11(7-9)16-13(17)14(3,4)8-15/h6-7H,8,15H2,1-5H3,(H,16,17)
InChIKeyIBGKOPRNNIDSTP-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide 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'-(2-methoxy-3,5-dimethylphenyl)oxamide
CID 115191556
methyl 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671
N-(hydrazinylmethyl)-2-methoxy-3,5-dimethylaniline
CID 115260467
3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
CID 115426300
3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119676324
2-(2-methoxy-3,5-dimethylanilino)ethanol
CID 82491310
methyl 3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanoate
CID 116940300
2-ethyl-N'-(2-methoxy-3,5-dimethylphenyl)propane-1,3-diamine
CID 115251223
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
N-(5-formyl-2-methoxy-3-methylphenyl)acetamide
CID 84779465
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396
N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride
CID 119711356

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide (CID 115154505) is 3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide is COc1c(C)cc(C)cc1NC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
The InChIKey is IBGKOPRNNIDSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-6-10(2)12(18-5)11(7-9)16-13(17)14(3,4)8-15/h6-7H,8,15H2,1-5H3,(H,16,17).
What are the key properties of 3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide?
3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 115154505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).