N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide

C13H18ClN3O3 — CID 44902655

IUPACN'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCCN(C)C
InChIInChI=1S/C13H18ClN3O3/c1-17(2)7-6-15-12(18)13(19)16-10-8-9(14)4-5-11(10)20-3/h4-5,8H,6-7H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyNYOIIHZPYLCPSZ-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.96
Rot. Bonds5

About N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide

N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide (PubChem CID 44902655) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
PubChem CID44902655
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCCN(C)C
InChIInChI=1S/C13H18ClN3O3/c1-17(2)7-6-15-12(18)13(19)16-10-8-9(14)4-5-11(10)20-3/h4-5,8H,6-7H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyNYOIIHZPYLCPSZ-UHFFFAOYSA-N
XLogP0.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108501046
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
6-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096371
N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150
N'-(5-chloro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2274078
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
CID 7541651
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 108986643

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide (CID 44902655) is N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NCCN(C)C.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The InChIKey is NYOIIHZPYLCPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-17(2)7-6-15-12(18)13(19)16-10-8-9(14)4-5-11(10)20-3/h4-5,8H,6-7H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide has a molecular weight of 299.76 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide is sourced from PubChem (CID 44902655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).