N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide

C14H19ClN2O3 — CID 108943345

IUPACN'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C14H19ClN2O3/c1-10-8-11(15)4-5-12(10)17-14(19)9-13(18)16-6-3-7-20-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQOUUYALKAGIVSP-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.13
Rot. Bonds7

About N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide

N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide (PubChem CID 108943345) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
PubChem CID108943345
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C14H19ClN2O3/c1-10-8-11(15)4-5-12(10)17-14(19)9-13(18)16-6-3-7-20-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQOUUYALKAGIVSP-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

2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
CID 54828800
N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943352
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
CID 86085592
N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015588
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179
N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
CID 108943408
N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945452
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
CID 108943310

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide (CID 108943345) is N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide is COCCCNC(=O)CC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide?
The InChIKey is QOUUYALKAGIVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-10-8-11(15)4-5-12(10)17-14(19)9-13(18)16-6-3-7-20-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide?
N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)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'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide is sourced from PubChem (CID 108943345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).