N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide

C20H23ClN2O3 — CID 90623967

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-13(2)14-8-10-15(11-9-14)23-20(25)19(24)22-12-18(26-3)16-6-4-5-7-17(16)21/h4-11,13,18H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBEZQHOLATLAJKM-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.91
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 90623967) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID90623967
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-13(2)14-8-10-15(11-9-14)23-20(25)19(24)22-12-18(26-3)16-6-4-5-7-17(16)21/h4-11,13,18H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBEZQHOLATLAJKM-UHFFFAOYSA-N
XLogP3.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.91
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-[(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'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide
CID 90623969
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90623997
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 90623949
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2-cyanophenyl)oxamide
CID 90623942
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90623953
N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90623943
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
CID 90623934
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
CID 90623941
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide (CID 90623967) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide is COC(CNC(=O)C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is BEZQHOLATLAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13(2)14-8-10-15(11-9-14)23-20(25)19(24)22-12-18(26-3)16-6-4-5-7-17(16)21/h4-11,13,18H,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 374.87 g/mol, XLogP of 3.91, 6 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'-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 90623967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).