N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide

C21H25ClN2O3 — CID 108969119

IUPACN-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H25ClN2O3/c1-13(2)27-17-9-7-16(8-10-17)23-19(25)21(4,5)20(26)24-18-11-6-15(22)12-14(18)3/h6-13H,1-5H3,(H,23,25)(H,24,26)
InChIKeyHBIFPYKRBMNNFN-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.04
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide

N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide (PubChem CID 108969119) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide
PubChem CID108969119
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H25ClN2O3/c1-13(2)27-17-9-7-16(8-10-17)23-19(25)21(4,5)20(26)24-18-11-6-15(22)12-14(18)3/h6-13H,1-5H3,(H,23,25)(H,24,26)
InChIKeyHBIFPYKRBMNNFN-UHFFFAOYSA-N
XLogP5.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.04
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-chlorophenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968985
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109038449
N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967805
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193277
N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108986808
N-(3-chloro-4-methylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967810
1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108992164
methyl 4-[[3-(5-chloro-2-methylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969092
2-(ethylamino)-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62836240
6-N-(4-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100888

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide (CID 108969119) is N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide is Cc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide?
The InChIKey is HBIFPYKRBMNNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-13(2)27-17-9-7-16(8-10-17)23-19(25)21(4,5)20(26)24-18-11-6-15(22)12-14(18)3/h6-13H,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide?
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide has a molecular weight of 388.90 g/mol, XLogP of 5.04, 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-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108969119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).