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

C14H20Cl2N2O2 — CID 119320209

IUPAC2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCC1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C14H19ClN2O2.ClH/c15-12-4-2-1-3-11(12)14(5-7-19-8-6-14)10-17-13(18)9-16;/h1-4H,5-10,16H2,(H,17,18);1H
InChIKeyIXIBSOOCWDOZTK-UHFFFAOYSA-N
MW319.23 g/mol
LogP1.88
Rot. Bonds4

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

2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride (PubChem CID 119320209) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
PubChem CID119320209
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCC1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C14H19ClN2O2.ClH/c15-12-4-2-1-3-11(12)14(5-7-19-8-6-14)10-17-13(18)9-16;/h1-4H,5-10,16H2,(H,17,18);1H
InChIKeyIXIBSOOCWDOZTK-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
CID 119777768
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119777736
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120989233
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510
2-(aminomethyl)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119777761
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine
CID 82084431
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119320200
3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111105530
(2S)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95348749
(2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95348750
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride (CID 119320209) is 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride is Cl.NCC(=O)NCC1(c2ccccc2Cl)CCOCC1.
What is the InChIKey of 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride?
The InChIKey is IXIBSOOCWDOZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c15-12-4-2-1-3-11(12)14(5-7-19-8-6-14)10-17-13(18)9-16;/h1-4H,5-10,16H2,(H,17,18);1H.
What are the key properties of 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride?
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119320209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).