N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride

C15H21Cl3N2O3 — CID 66975073

IUPACN-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H20Cl2N2O3.ClH/c1-21-9-14(20)19-8-11-7-18-4-5-22-15(11)10-2-3-12(16)13(17)6-10;/h2-3,6,11,15,18H,4-5,7-9H2,1H3,(H,19,20);1H/t11-,15-;/m0./s1
InChIKeySUHUBWRSUIAZNT-JDOFTSHGSA-N
MW383.70 g/mol
LogP2.45
Rot. Bonds5

About N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride

N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride (PubChem CID 66975073) has the molecular formula C15H21Cl3N2O3 and a molecular weight of 383.70 g/mol. Its IUPAC name is N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride
PubChem CID66975073
Molecular FormulaC15H21Cl3N2O3
Molecular Weight383.70 g/mol
Exact Mass382.06
IUPAC NameN-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H20Cl2N2O3.ClH/c1-21-9-14(20)19-8-11-7-18-4-5-22-15(11)10-2-3-12(16)13(17)6-10;/h2-3,6,11,15,18H,4-5,7-9H2,1H3,(H,19,20);1H/t11-,15-;/m0./s1
InChIKeySUHUBWRSUIAZNT-JDOFTSHGSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride?
The IUPAC name of N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride (CID 66975073) is N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride.
What is the SMILES notation for N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride?
The canonical SMILES for N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride is COCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride?
The InChIKey is SUHUBWRSUIAZNT-JDOFTSHGSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3.ClH/c1-21-9-14(20)19-8-11-7-18-4-5-22-15(11)10-2-3-12(16)13(17)6-10;/h2-3,6,11,15,18H,4-5,7-9H2,1H3,(H,19,20);1H/t11-,15-;/m0./s1.
What are the key properties of N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride?
N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride has a molecular weight of 383.70 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide;hydrochloride is sourced from PubChem (CID 66975073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).