2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride

C22H29ClN2O4 — CID 120787393

IUPAC2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1cccc(COCCOc2ccccc2)c1)C1CCOCC1
InChIInChI=1S/C22H28N2O4.ClH/c23-21(18-9-11-26-12-10-18)22(25)24-19-6-4-5-17(15-19)16-27-13-14-28-20-7-2-1-3-8-20;/h1-8,15,18,21H,9-14,16,23H2,(H,24,25);1H
InChIKeyGXVVKNVIHGIYIX-UHFFFAOYSA-N
MW420.94 g/mol
LogP3.40
Rot. Bonds9

About 2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride (PubChem CID 120787393) has the molecular formula C22H29ClN2O4 and a molecular weight of 420.94 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride
PubChem CID120787393
Molecular FormulaC22H29ClN2O4
Molecular Weight420.94 g/mol
Exact Mass420.18
IUPAC Name2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1cccc(COCCOc2ccccc2)c1)C1CCOCC1
InChIInChI=1S/C22H28N2O4.ClH/c23-21(18-9-11-26-12-10-18)22(25)24-19-6-4-5-17(15-19)16-27-13-14-28-20-7-2-1-3-8-20;/h1-8,15,18,21H,9-14,16,23H2,(H,24,25);1H
InChIKeyGXVVKNVIHGIYIX-UHFFFAOYSA-N
XLogP3.40
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide
CID 120790252
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride
CID 120798729
N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119723062
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801639
2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120789988
2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120795542
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801241

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride (CID 120787393) is 2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride is Cl.NC(C(=O)Nc1cccc(COCCOc2ccccc2)c1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride?
The InChIKey is GXVVKNVIHGIYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4.ClH/c23-21(18-9-11-26-12-10-18)22(25)24-19-6-4-5-17(15-19)16-27-13-14-28-20-7-2-1-3-8-20;/h1-8,15,18,21H,9-14,16,23H2,(H,24,25);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120787393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).