N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide

C14H19ClN2O3 — CID 131904454

IUPACN'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide
SMILESCCOCCNC(=O)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H19ClN2O3/c1-3-20-7-6-16-13(18)9-14(19)17-12-8-11(15)5-4-10(12)2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyJUXXWUXQTFYUBO-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.13
Rot. Bonds7

About N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide

N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide (PubChem CID 131904454) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide
PubChem CID131904454
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide
SMILESCCOCCNC(=O)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H19ClN2O3/c1-3-20-7-6-16-13(18)9-14(19)17-12-8-11(15)5-4-10(12)2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyJUXXWUXQTFYUBO-UHFFFAOYSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.13
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

1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946767
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
N-(5-chloro-2-methylphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 63829118
N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948290
N-(5-chloro-2-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955176
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943345
N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17112665
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide (CID 131904454) is N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide is CCOCCNC(=O)CC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide?
The InChIKey is JUXXWUXQTFYUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-3-20-7-6-16-13(18)9-14(19)17-12-8-11(15)5-4-10(12)2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide?
N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide has a molecular weight of 298.77 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide is sourced from PubChem (CID 131904454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).