N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide

C20H24N2O2 — CID 108961493

IUPACN-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)C(C)(C)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-15-8-7-11-17(12-15)14-22-19(24)20(2,3)18(23)21-13-16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVCQBERWPHXIDCS-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.95
Rot. Bonds6

About N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide

N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide (PubChem CID 108961493) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
PubChem CID108961493
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)C(C)(C)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-15-8-7-11-17(12-15)14-22-19(24)20(2,3)18(23)21-13-16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVCQBERWPHXIDCS-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961810
2-methyl-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 62847250
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958363
3-chloro-2,2-dimethyl-N-[(3-methylphenyl)methyl]propanamide
CID 63680580
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961824
N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108961574
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-oxo-3-piperidin-1-ylpropanamide
CID 108958742
N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
CID 108961541
methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
methyl 4-[[2,2-dimethyl-3-[(3-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108961919
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108959301
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108961842

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide (CID 108961493) is N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide is Cc1cccc(CNC(=O)C(C)(C)C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide?
The InChIKey is VCQBERWPHXIDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-8-7-11-17(12-15)14-22-19(24)20(2,3)18(23)21-13-16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide?
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide has a molecular weight of 324.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108961493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).