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

C16H23Cl3N2O3 — CID 120987373

IUPAC2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1.Cl
InChIInChI=1S/C16H22Cl2N2O3.ClH/c1-22-9-14(19)15(21)20-10-16(4-6-23-7-5-16)12-3-2-11(17)8-13(12)18;/h2-3,8,14H,4-7,9-10,19H2,1H3,(H,20,21);1H
InChIKeyNQBAYLNRBJYOHX-UHFFFAOYSA-N
MW397.73 g/mol
LogP2.55
Rot. Bonds6

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

2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120987373) has the molecular formula C16H23Cl3N2O3 and a molecular weight of 397.73 g/mol. Its IUPAC name is 2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120987373
Molecular FormulaC16H23Cl3N2O3
Molecular Weight397.73 g/mol
Exact Mass396.08
IUPAC Name2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1.Cl
InChIInChI=1S/C16H22Cl2N2O3.ClH/c1-22-9-14(19)15(21)20-10-16(4-6-23-7-5-16)12-3-2-11(17)8-13(12)18;/h2-3,8,14H,4-7,9-10,19H2,1H3,(H,20,21);1H
InChIKeyNQBAYLNRBJYOHX-UHFFFAOYSA-N
XLogP2.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.73
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120989233
2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120993759
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110939517
(2R)-2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]propanamide
CID 119303817
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111406737
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea
CID 110904192
2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120988365
2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789809
N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide
CID 86833800
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 71886523
methyl 1-[N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254642
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride (CID 120987373) is 2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1.Cl.
What is the InChIKey of 2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is NQBAYLNRBJYOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3.ClH/c1-22-9-14(19)15(21)20-10-16(4-6-23-7-5-16)12-3-2-11(17)8-13(12)18;/h2-3,8,14H,4-7,9-10,19H2,1H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 397.73 g/mol, XLogP of 2.55, 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-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120987373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).