N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide

C22H28N2O2 — CID 108951690

IUPACN'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccc(NC(=O)CC(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)19-10-12-20(13-11-19)23-21(25)14-22(26)24(17(3)4)15-18-8-6-5-7-9-18/h5-13,16-17H,14-15H2,1-4H3,(H,23,25)
InChIKeyYEPPQUBDUFAXBV-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.58
Rot. Bonds7

About N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide

N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide (PubChem CID 108951690) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide
PubChem CID108951690
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccc(NC(=O)CC(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)19-10-12-20(13-11-19)23-21(25)14-22(26)24(17(3)4)15-18-8-6-5-7-9-18/h5-13,16-17H,14-15H2,1-4H3,(H,23,25)
InChIKeyYEPPQUBDUFAXBV-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
CID 11223159
N'-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-propan-2-ylpropanediamide
CID 108951740
N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951691
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide
CID 108951694
methyl 2-[[3-[benzyl(propan-2-yl)amino]-3-oxopropanoyl]amino]benzoate
CID 108951728
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113169817
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
1-[(1-benzylpyrrol-2-yl)methyl]-1-propan-2-yl-3-(4-propan-2-ylphenyl)urea
CID 3915867
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2099680

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide?
The IUPAC name of N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide (CID 108951690) is N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide is CC(C)c1ccc(NC(=O)CC(=O)N(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide?
The InChIKey is YEPPQUBDUFAXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)19-10-12-20(13-11-19)23-21(25)14-22(26)24(17(3)4)15-18-8-6-5-7-9-18/h5-13,16-17H,14-15H2,1-4H3,(H,23,25).
What are the key properties of N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide?
N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide has a molecular weight of 352.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108951690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).