N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide

C23H30N2O2 — CID 3868220

IUPACN,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C23H30N2O2/c1-18(2)24(16-20-11-7-5-8-12-20)22(26)15-23(27)25(19(3)4)17-21-13-9-6-10-14-21/h5-14,18-19H,15-17H2,1-4H3
InChIKeyUXSUXHVYBCUEHR-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.25
Rot. Bonds8

About N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide

N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide (PubChem CID 3868220) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide.

Molecular Properties

Compound NameN,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide
PubChem CID3868220
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC NameN,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C23H30N2O2/c1-18(2)24(16-20-11-7-5-8-12-20)22(26)15-23(27)25(19(3)4)17-21-13-9-6-10-14-21/h5-14,18-19H,15-17H2,1-4H3
InChIKeyUXSUXHVYBCUEHR-UHFFFAOYSA-N
XLogP4.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide?
The IUPAC name of N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide (CID 3868220) is N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide.
What is the SMILES notation for N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide?
The canonical SMILES for N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide is CC(C)N(Cc1ccccc1)C(=O)CC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide?
The InChIKey is UXSUXHVYBCUEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(2)24(16-20-11-7-5-8-12-20)22(26)15-23(27)25(19(3)4)17-21-13-9-6-10-14-21/h5-14,18-19H,15-17H2,1-4H3.
What are the key properties of N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide?
N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide has a molecular weight of 366.50 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-N,N'-di(propan-2-yl)propanediamide is sourced from PubChem (CID 3868220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).