N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide

C21H26N2O3 — CID 108967570

IUPACN,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-15(2)26-18-14-10-9-13-17(18)22-19(24)21(3,4)20(25)23(5)16-11-7-6-8-12-16/h6-15H,1-5H3,(H,22,24)
InChIKeyHRBUJNWWEXAUQV-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.10
Rot. Bonds6

About N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide

N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108967570) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108967570
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-15(2)26-18-14-10-9-13-17(18)22-19(24)21(3,4)20(25)23(5)16-11-7-6-8-12-16/h6-15H,1-5H3,(H,22,24)
InChIKeyHRBUJNWWEXAUQV-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
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-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969587
2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967269
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108966217
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968087
2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108958088
N-(4-chlorophenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968985
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969589
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108961120
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108967751
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108967570) is N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)N(C)c1ccccc1.
What is the InChIKey of N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is HRBUJNWWEXAUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)26-18-14-10-9-13-17(18)22-19(24)21(3,4)20(25)23(5)16-11-7-6-8-12-16/h6-15H,1-5H3,(H,22,24).
What are the key properties of N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 354.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108967570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).