N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide

C18H25ClN2O3 — CID 90623941

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
SMILESCOC(CNC(=O)C(=O)NC1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C18H25ClN2O3/c1-24-16(14-10-6-7-11-15(14)19)12-20-17(22)18(23)21-13-8-4-2-3-5-9-13/h6-7,10-11,13,16H,2-5,8-9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyZWBXRWOZDLBUNI-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide (PubChem CID 90623941) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
PubChem CID90623941
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
SMILESCOC(CNC(=O)C(=O)NC1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C18H25ClN2O3/c1-24-16(14-10-6-7-11-15(14)19)12-20-17(22)18(23)21-13-8-4-2-3-5-9-13/h6-7,10-11,13,16H,2-5,8-9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyZWBXRWOZDLBUNI-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
CID 90623934
N'-cyclopropyl-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 71810552
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide
CID 99876096
(1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide
CID 99592280
N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90623943
N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168553
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 90623967
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 90623949
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876253
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876254
N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
CID 90598682

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide (CID 90623941) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide is COC(CNC(=O)C(=O)NC1CCCCCC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide?
The InChIKey is ZWBXRWOZDLBUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-24-16(14-10-6-7-11-15(14)19)12-20-17(22)18(23)21-13-8-4-2-3-5-9-13/h6-7,10-11,13,16H,2-5,8-9,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide has a molecular weight of 352.86 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide is sourced from PubChem (CID 90623941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).