N',N'-dibenzylbutanediamide

C18H20N2O2 — CID 101024490

IUPACN',N'-dibenzylbutanediamide
SMILESNC(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20N2O2/c19-17(21)11-12-18(22)20(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,19,21)
InChIKeyZOOLOLLYGXSSKY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.48
Rot. Bonds7

About N',N'-dibenzylbutanediamide

N',N'-dibenzylbutanediamide (PubChem CID 101024490) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N',N'-dibenzylbutanediamide.

Molecular Properties

Compound NameN',N'-dibenzylbutanediamide
PubChem CID101024490
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN',N'-dibenzylbutanediamide
SMILESNC(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20N2O2/c19-17(21)11-12-18(22)20(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,19,21)
InChIKeyZOOLOLLYGXSSKY-UHFFFAOYSA-N
XLogP2.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
2-amino-N,N-dibenzylacetamide
CID 11107897
N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide
CID 107909271
2-amino-5-(dibenzylamino)-5-oxopentanoic acid
CID 69304908
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzylbutanediamide?
The IUPAC name of N',N'-dibenzylbutanediamide (CID 101024490) is N',N'-dibenzylbutanediamide.
What is the SMILES notation for N',N'-dibenzylbutanediamide?
The canonical SMILES for N',N'-dibenzylbutanediamide is NC(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N',N'-dibenzylbutanediamide?
The InChIKey is ZOOLOLLYGXSSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-17(21)11-12-18(22)20(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,19,21).
What are the key properties of N',N'-dibenzylbutanediamide?
N',N'-dibenzylbutanediamide has a molecular weight of 296.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzylbutanediamide is sourced from PubChem (CID 101024490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).