N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide

C21H26N2O2 — CID 108946081

IUPACN,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-17(2)23(16-19-12-8-5-9-13-19)21(25)14-20(24)22(3)15-18-10-6-4-7-11-18/h4-13,17H,14-16H2,1-3H3
InChIKeyMJEQMRCBJXULMY-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.47
Rot. Bonds7

About N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide

N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide (PubChem CID 108946081) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
PubChem CID108946081
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-17(2)23(16-19-12-8-5-9-13-19)21(25)14-20(24)22(3)15-18-10-6-4-7-11-18/h4-13,17H,14-16H2,1-3H3
InChIKeyMJEQMRCBJXULMY-UHFFFAOYSA-N
XLogP3.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.47
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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Related Compounds

N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide
CID 109020269
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
CID 11223159

Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide?
The IUPAC name of N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide (CID 108946081) is N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide.
What is the SMILES notation for N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide?
The canonical SMILES for N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide is CC(C)N(Cc1ccccc1)C(=O)CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide?
The InChIKey is MJEQMRCBJXULMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17(2)23(16-19-12-8-5-9-13-19)21(25)14-20(24)22(3)15-18-10-6-4-7-11-18/h4-13,17H,14-16H2,1-3H3.
What are the key properties of N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide?
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide has a molecular weight of 338.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 108946081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).