N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

C14H19ClN2O5 — CID 108524368

IUPACN'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)NCCOCCO
InChIInChI=1S/C14H19ClN2O5/c1-9-7-11(12(21-2)8-10(9)15)17-14(20)13(19)16-3-5-22-6-4-18/h7-8,18H,3-6H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyADQLMSVZNFOXHO-UHFFFAOYSA-N
MW330.77 g/mol
LogP0.72
Rot. Bonds7

About N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (PubChem CID 108524368) has the molecular formula C14H19ClN2O5 and a molecular weight of 330.77 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
PubChem CID108524368
Molecular FormulaC14H19ClN2O5
Molecular Weight330.77 g/mol
Exact Mass330.10
IUPAC NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)NCCOCCO
InChIInChI=1S/C14H19ClN2O5/c1-9-7-11(12(21-2)8-10(9)15)17-14(20)13(19)16-3-5-22-6-4-18/h7-8,18H,3-6H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyADQLMSVZNFOXHO-UHFFFAOYSA-N
XLogP0.72
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463997
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108526393
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
4-(4-chloro-2-methoxy-5-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991531
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (CID 108524368) is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.
What is the SMILES notation for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The canonical SMILES for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)NCCOCCO.
What is the InChIKey of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The InChIKey is ADQLMSVZNFOXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5/c1-9-7-11(12(21-2)8-10(9)15)17-14(20)13(19)16-3-5-22-6-4-18/h7-8,18H,3-6H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide has a molecular weight of 330.77 g/mol, XLogP of 0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is sourced from PubChem (CID 108524368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).