2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride

C19H31ClN2O4 — CID 120792481

IUPAC2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)C(N)C2CCOCC2)cc1OC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-19(2,14-5-6-15(23-3)16(11-14)24-4)12-21-18(22)17(20)13-7-9-25-10-8-13;/h5-6,11,13,17H,7-10,12,20H2,1-4H3,(H,21,22);1H
InChIKeyZJGYARBHTWGRDP-UHFFFAOYSA-N
MW386.92 g/mol
LogP2.27
Rot. Bonds7

About 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120792481) has the molecular formula C19H31ClN2O4 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120792481
Molecular FormulaC19H31ClN2O4
Molecular Weight386.92 g/mol
Exact Mass386.20
IUPAC Name2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)C(N)C2CCOCC2)cc1OC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-19(2,14-5-6-15(23-3)16(11-14)24-4)12-21-18(22)17(20)13-7-9-25-10-8-13;/h5-6,11,13,17H,7-10,12,20H2,1-4H3,(H,21,22);1H
InChIKeyZJGYARBHTWGRDP-UHFFFAOYSA-N
XLogP2.27
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;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

2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790613
2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide
CID 120790284
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786627
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
(2S)-2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119320121
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120792906
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119777599
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride
CID 119777591
2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120790520
2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789809
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120792481) is 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride is COc1ccc(C(C)(C)CNC(=O)C(N)C2CCOCC2)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is ZJGYARBHTWGRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.ClH/c1-19(2,14-5-6-15(23-3)16(11-14)24-4)12-21-18(22)17(20)13-7-9-25-10-8-13;/h5-6,11,13,17H,7-10,12,20H2,1-4H3,(H,21,22);1H.
What are the key properties of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120792481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).