N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide

C14H18Cl2N2O3 — CID 108959609

IUPACN-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
SMILESCOCCNC(=O)C(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-14(2,12(19)17-4-5-21-3)13(20)18-11-7-9(15)6-10(16)8-11/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyGQAYVPFGIYQIFK-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.72
Rot. Bonds6

About N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide

N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide (PubChem CID 108959609) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
PubChem CID108959609
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC NameN-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
SMILESCOCCNC(=O)C(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-14(2,12(19)17-4-5-21-3)13(20)18-11-7-9(15)6-10(16)8-11/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyGQAYVPFGIYQIFK-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963911
N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959594
1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8658308
N-(2,4-dichlorophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959789
N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959754
N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959459
N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962505
N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959695
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963474
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959753
1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47442422

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide (CID 108959609) is N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide is COCCNC(=O)C(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
The InChIKey is GQAYVPFGIYQIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-14(2,12(19)17-4-5-21-3)13(20)18-11-7-9(15)6-10(16)8-11/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide?
N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide has a molecular weight of 333.22 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).