N-benzyl-N'-butyl-N'-methylpropanediamide

C15H22N2O2 — CID 108945252

IUPACN-benzyl-N'-butyl-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-3-4-10-17(2)15(19)11-14(18)16-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,16,18)
InChIKeyRZEBURAUUDROKR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds7

About N-benzyl-N'-butyl-N'-methylpropanediamide

N-benzyl-N'-butyl-N'-methylpropanediamide (PubChem CID 108945252) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-benzyl-N'-butyl-N'-methylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N'-butyl-N'-methylpropanediamide
PubChem CID108945252
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-benzyl-N'-butyl-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-3-4-10-17(2)15(19)11-14(18)16-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,16,18)
InChIKeyRZEBURAUUDROKR-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
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-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 111158585
N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111158586
N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide
CID 108946043
N,N'-dibutyl-N'-methylpropanediamide
CID 108941430
3-benzyl-1-butyl-1,2-dimethylguanidine;hydroiodide
CID 111157994
N-benzylundecanamide
CID 5078198
N-benzyl-2-[ethyl(propyl)amino]acetamide
CID 142231835
N'-benzyl-N-propylpropanediamide
CID 108940601
N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide
CID 108952078
N-benzyl-2-(diethylamino)acetamide
CID 969777
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
N-benzyl-3-oxopentanamide
CID 10632061

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-butyl-N'-methylpropanediamide?
The IUPAC name of N-benzyl-N'-butyl-N'-methylpropanediamide (CID 108945252) is N-benzyl-N'-butyl-N'-methylpropanediamide.
What is the SMILES notation for N-benzyl-N'-butyl-N'-methylpropanediamide?
The canonical SMILES for N-benzyl-N'-butyl-N'-methylpropanediamide is CCCCN(C)C(=O)CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-butyl-N'-methylpropanediamide?
The InChIKey is RZEBURAUUDROKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-4-10-17(2)15(19)11-14(18)16-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,16,18).
What are the key properties of N-benzyl-N'-butyl-N'-methylpropanediamide?
N-benzyl-N'-butyl-N'-methylpropanediamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-butyl-N'-methylpropanediamide is sourced from PubChem (CID 108945252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).