N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide

C20H23ClN2O3 — CID 108955345

IUPACN'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)Nc2ccc(OC(C)C)cc2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-12(2)26-16-7-5-15(6-8-16)22-18(24)11-19(25)23-20-14(4)9-13(3)10-17(20)21/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyZOQPLNIRPUUJIJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.71
Rot. Bonds6

About N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide

N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide (PubChem CID 108955345) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
PubChem CID108955345
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)Nc2ccc(OC(C)C)cc2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-12(2)26-16-7-5-15(6-8-16)22-18(24)11-19(25)23-20-14(4)9-13(3)10-17(20)21/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyZOQPLNIRPUUJIJ-UHFFFAOYSA-N
XLogP4.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.71
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-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109038875
N-(4-bromophenyl)-N'-(2-chloro-4,6-dimethylphenyl)propanediamide
CID 108955337
3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036983
N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108955386
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8865308
2-(2,6-dichloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009437
N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954449
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 53265828
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822316
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide (CID 108955345) is N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide is Cc1cc(C)c(NC(=O)CC(=O)Nc2ccc(OC(C)C)cc2)c(Cl)c1.
What is the InChIKey of N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
The InChIKey is ZOQPLNIRPUUJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-12(2)26-16-7-5-15(6-8-16)22-18(24)11-19(25)23-20-14(4)9-13(3)10-17(20)21/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide has a molecular weight of 374.87 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108955345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).