2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride

C16H24Cl2N2O3 — CID 120989233

IUPAC2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1(c2ccccc2Cl)CCOCC1.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-21-10-14(18)15(20)19-11-16(6-8-22-9-7-16)12-4-2-3-5-13(12)17;/h2-5,14H,6-11,18H2,1H3,(H,19,20);1H
InChIKeyMQEMXKGLZWRUEN-UHFFFAOYSA-N
MW363.29 g/mol
LogP1.90
Rot. Bonds6

About 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120989233) has the molecular formula C16H24Cl2N2O3 and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120989233
Molecular FormulaC16H24Cl2N2O3
Molecular Weight363.29 g/mol
Exact Mass362.12
IUPAC Name2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1(c2ccccc2Cl)CCOCC1.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-21-10-14(18)15(20)19-11-16(6-8-22-9-7-16)12-4-2-3-5-13(12)17;/h2-5,14H,6-11,18H2,1H3,(H,19,20);1H
InChIKeyMQEMXKGLZWRUEN-UHFFFAOYSA-N
XLogP1.90
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120993759
2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987373
3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
CID 119777768
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
1-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111544741
1-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111548012
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119777736
ethyl (2R)-2-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]propanoate
CID 96549803
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119320200
2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120988365
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride (CID 120989233) is 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCC1(c2ccccc2Cl)CCOCC1.Cl.
What is the InChIKey of 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is MQEMXKGLZWRUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3.ClH/c1-21-10-14(18)15(20)19-11-16(6-8-22-9-7-16)12-4-2-3-5-13(12)17;/h2-5,14H,6-11,18H2,1H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 363.29 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120989233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).