N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide

C23H30N2O2 — CID 108966190

IUPACN-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)N(Cc2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C23H30N2O2/c1-16(2)25(15-19-10-8-7-9-11-19)22(27)23(5,6)21(26)24-20-13-12-17(3)14-18(20)4/h7-14,16H,15H2,1-6H3,(H,24,26)
InChIKeyGPHLJIUSBLHOEQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.71
Rot. Bonds6

About N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide

N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide (PubChem CID 108966190) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide
PubChem CID108966190
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)N(Cc2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C23H30N2O2/c1-16(2)25(15-19-10-8-7-9-11-19)22(27)23(5,6)21(26)24-20-13-12-17(3)14-18(20)4/h7-14,16H,15H2,1-6H3,(H,24,26)
InChIKeyGPHLJIUSBLHOEQ-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108966217
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965816
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967800
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
1-N'-benzyl-1-N'-propan-2-yl-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979580
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 18286925
N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951691
N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108962321
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963371
O-[2-(2,4-dimethylanilino)-2-oxoethyl] N,N-dibenzylcarbamothioate
CID 87995977

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide?
The IUPAC name of N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide (CID 108966190) is N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide.
What is the SMILES notation for N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide?
The canonical SMILES for N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)N(Cc2ccccc2)C(C)C)c(C)c1.
What is the InChIKey of N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide?
The InChIKey is GPHLJIUSBLHOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(2)25(15-19-10-8-7-9-11-19)22(27)23(5,6)21(26)24-20-13-12-17(3)14-18(20)4/h7-14,16H,15H2,1-6H3,(H,24,26).
What are the key properties of N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide?
N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide has a molecular weight of 366.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide is sourced from PubChem (CID 108966190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).