2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride

C20H25ClN2O3 — CID 120790435

IUPAC2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ccccc1Oc1ccccc1)C1CCOCC1
InChIInChI=1S/C20H24N2O3.ClH/c21-19(15-10-12-24-13-11-15)20(23)22-14-16-6-4-5-9-18(16)25-17-7-2-1-3-8-17;/h1-9,15,19H,10-14,21H2,(H,22,23);1H
InChIKeyLMBWBFXKODUFQV-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.27
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 120790435) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID120790435
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ccccc1Oc1ccccc1)C1CCOCC1
InChIInChI=1S/C20H24N2O3.ClH/c21-19(15-10-12-24-13-11-15)20(23)22-14-16-6-4-5-9-18(16)25-17-7-2-1-3-8-17;/h1-9,15,19H,10-14,21H2,(H,22,23);1H
InChIKeyLMBWBFXKODUFQV-UHFFFAOYSA-N
XLogP3.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-N-[[2-(4-methylphenoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120792516
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795647
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795648
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 120789376
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799114
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride
CID 120791363
1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea
CID 71866432
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride (CID 120790435) is 2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride is Cl.NC(C(=O)NCc1ccccc1Oc1ccccc1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is LMBWBFXKODUFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c21-19(15-10-12-24-13-11-15)20(23)22-14-16-6-4-5-9-18(16)25-17-7-2-1-3-8-17;/h1-9,15,19H,10-14,21H2,(H,22,23);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120790435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).