N'-benzylbutanediamide

C11H14N2O2 — CID 4682951

IUPACN'-benzylbutanediamide
SMILESNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C11H14N2O2/c12-10(14)6-7-11(15)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,14)(H,13,15)
InChIKeyLGJOHQXBMWQPNH-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.57
Rot. Bonds5

About N'-benzylbutanediamide

N'-benzylbutanediamide (PubChem CID 4682951) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N'-benzylbutanediamide.

Molecular Properties

Compound NameN'-benzylbutanediamide
PubChem CID4682951
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN'-benzylbutanediamide
SMILESNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C11H14N2O2/c12-10(14)6-7-11(15)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,14)(H,13,15)
InChIKeyLGJOHQXBMWQPNH-UHFFFAOYSA-N
XLogP0.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-oxopentanediamide
CID 162387847
benzene;benzylurea;hydrazine
CID 68793593
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-3-chloropropanamide
CID 10391
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-benzyl-3-chloropropanamide;oxalic acid
CID 70111231
lithium;N-benzyl-3-chloropropanamide;hydride
CID 173211913
potassium;N-benzyl-3-chloropropanamide;hydride
CID 173065814
N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
CID 3359263
5-(benzylcarbamoylamino)pentanamide
CID 106235188
3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride
CID 119310950
N-benzyl-2-hydrazinylacetamide
CID 15514349

Frequently Asked Questions

What is the IUPAC name of N'-benzylbutanediamide?
The IUPAC name of N'-benzylbutanediamide (CID 4682951) is N'-benzylbutanediamide.
What is the SMILES notation for N'-benzylbutanediamide?
The canonical SMILES for N'-benzylbutanediamide is NC(=O)CCC(=O)NCc1ccccc1.
What is the InChIKey of N'-benzylbutanediamide?
The InChIKey is LGJOHQXBMWQPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-10(14)6-7-11(15)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,14)(H,13,15).
What are the key properties of N'-benzylbutanediamide?
N'-benzylbutanediamide has a molecular weight of 206.25 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylbutanediamide is sourced from PubChem (CID 4682951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).