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

C22H28N2O3 — CID 108968087

IUPACN-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C22H28N2O3/c1-14(2)27-18-13-8-7-12-17(18)23-20(25)22(5,6)21(26)24-19-15(3)10-9-11-16(19)4/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeyPLAVDQAOQDGRDZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.69
Rot. Bonds6

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

N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108968087) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108968087
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C22H28N2O3/c1-14(2)27-18-13-8-7-12-17(18)23-20(25)22(5,6)21(26)24-19-15(3)10-9-11-16(19)4/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeyPLAVDQAOQDGRDZ-UHFFFAOYSA-N
XLogP4.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.69
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

2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967269
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968066
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-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969587
N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967570
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036659
3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109037212
3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108961120
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108966217

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108968087) is N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide is Cc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is PLAVDQAOQDGRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14(2)27-18-13-8-7-12-17(18)23-20(25)22(5,6)21(26)24-19-15(3)10-9-11-16(19)4/h7-14H,1-6H3,(H,23,25)(H,24,26).
What are the key properties of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 368.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108968087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).