N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide

C14H20ClN3O4 — CID 108516132

IUPACN-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide
SMILESCOCCN(CCOC)C(=O)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C14H20ClN3O4/c1-21-7-5-18(6-8-22-2)14(20)13(19)17-12-4-3-10(16)9-11(12)15/h3-4,9H,5-8,16H2,1-2H3,(H,17,19)
InChIKeyIMCORTPXADJAIZ-UHFFFAOYSA-N
MW329.78 g/mol
LogP0.98
Rot. Bonds7

About N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide

N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide (PubChem CID 108516132) has the molecular formula C14H20ClN3O4 and a molecular weight of 329.78 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide
PubChem CID108516132
Molecular FormulaC14H20ClN3O4
Molecular Weight329.78 g/mol
Exact Mass329.11
IUPAC NameN-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide
SMILESCOCCN(CCOC)C(=O)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C14H20ClN3O4/c1-21-7-5-18(6-8-22-2)14(20)13(19)17-12-4-3-10(16)9-11(12)15/h3-4,9H,5-8,16H2,1-2H3,(H,17,19)
InChIKeyIMCORTPXADJAIZ-UHFFFAOYSA-N
XLogP0.98
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(4-amino-2-chlorophenyl)-3-[bis(2-methoxyethyl)amino]-2-cyanoprop-2-enamide
CID 108859647
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
CID 61443945
N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62985316
N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108501243
N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide
CID 47457508
N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108516166
4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729851
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide
CID 28546769
2-hydrazinyl-N,N-bis(2-methoxyethyl)-2-oxoacetamide
CID 61418318

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide (CID 108516132) is N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide is COCCN(CCOC)C(=O)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide?
The InChIKey is IMCORTPXADJAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4/c1-21-7-5-18(6-8-22-2)14(20)13(19)17-12-4-3-10(16)9-11(12)15/h3-4,9H,5-8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide?
N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide has a molecular weight of 329.78 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide is sourced from PubChem (CID 108516132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).