2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride

C18H29ClN2O3 — CID 120790613

IUPAC2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)C(N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-18(2,14-4-6-15(22-3)7-5-14)12-20-17(21)16(19)13-8-10-23-11-9-13;/h4-7,13,16H,8-12,19H2,1-3H3,(H,20,21);1H
InChIKeyLWTLPDHEODYJCL-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.26
Rot. Bonds6

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

2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120790613) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120790613
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)C(N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-18(2,14-4-6-15(22-3)7-5-14)12-20-17(21)16(19)13-8-10-23-11-9-13;/h4-7,13,16H,8-12,19H2,1-3H3,(H,20,21);1H
InChIKeyLWTLPDHEODYJCL-UHFFFAOYSA-N
XLogP2.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792481
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788733
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylpentanamide
CID 119758287
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119758276
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987
N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 47472788
2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787041

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120790613) is 2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride is COc1ccc(C(C)(C)CNC(=O)C(N)C2CCOCC2)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is LWTLPDHEODYJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-18(2,14-4-6-15(22-3)7-5-14)12-20-17(21)16(19)13-8-10-23-11-9-13;/h4-7,13,16H,8-12,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120790613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).