3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride

C13H21ClN2O2 — CID 119670707

IUPAC3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(C)(C)CN)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-4-17-11-7-5-10(6-8-11)15-12(16)13(2,3)9-14;/h5-8H,4,9,14H2,1-3H3,(H,15,16);1H
InChIKeyAKLBYNSZFRUUDC-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.43
Rot. Bonds5

About 3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride

3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119670707) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID119670707
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(C)(C)CN)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-4-17-11-7-5-10(6-8-11)15-12(16)13(2,3)9-14;/h5-8H,4,9,14H2,1-3H3,(H,15,16);1H
InChIKeyAKLBYNSZFRUUDC-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride 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-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119705445
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
CID 107470924
3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
CID 119715008
N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957697
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108957501
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride (CID 119670707) is 3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride is CCOc1ccc(NC(=O)C(C)(C)CN)cc1.Cl.
What is the InChIKey of 3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is AKLBYNSZFRUUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-4-17-11-7-5-10(6-8-11)15-12(16)13(2,3)9-14;/h5-8H,4,9,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119670707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).