N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide

C24H32N2O3 — CID 108966217

IUPACN-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C24H32N2O3/c1-17(2)26(16-19-12-8-7-9-13-19)23(28)24(5,6)22(27)25-20-14-10-11-15-21(20)29-18(3)4/h7-15,17-18H,16H2,1-6H3,(H,25,27)
InChIKeyVGLKDOQXMGDWHT-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.88
Rot. Bonds8

About N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide

N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108966217) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108966217
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C24H32N2O3/c1-17(2)26(16-19-12-8-7-9-13-19)23(28)24(5,6)22(27)25-20-14-10-11-15-21(20)29-18(3)4/h7-15,17-18H,16H2,1-6H3,(H,25,27)
InChIKeyVGLKDOQXMGDWHT-UHFFFAOYSA-N
XLogP4.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.88
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,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967570
N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide
CID 108966190
2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967269
2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108958088
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968087
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969587
N-(4-chlorophenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968985
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963371
1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975586
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108966217) is N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is VGLKDOQXMGDWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17(2)26(16-19-12-8-7-9-13-19)23(28)24(5,6)22(27)25-20-14-10-11-15-21(20)29-18(3)4/h7-15,17-18H,16H2,1-6H3,(H,25,27).
What are the key properties of N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide?
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 396.53 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108966217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).