N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide

C14H19ClN2O3 — CID 108940764

IUPACN'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H19ClN2O3/c1-4-5-16-13(18)8-14(19)17-11-6-9(2)10(15)7-12(11)20-3/h6-7H,4-5,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBXKNBCUEBXTUHL-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.51
Rot. Bonds6

About N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide (PubChem CID 108940764) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
PubChem CID108940764
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H19ClN2O3/c1-4-5-16-13(18)8-14(19)17-11-6-9(2)10(15)7-12(11)20-3/h6-7H,4-5,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBXKNBCUEBXTUHL-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide
CID 108951986
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946828
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001589
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
CID 43146022

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide?
The IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide (CID 108940764) is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide.
What is the SMILES notation for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide?
The canonical SMILES for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide is CCCNC(=O)CC(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide?
The InChIKey is BXKNBCUEBXTUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-4-5-16-13(18)8-14(19)17-11-6-9(2)10(15)7-12(11)20-3/h6-7H,4-5,8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide?
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide has a molecular weight of 298.77 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide is sourced from PubChem (CID 108940764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).