N-benzyl-N'-(2-methylpropylideneamino)butanediamide

C15H21N3O2 — CID 4924753

IUPACN-benzyl-N'-(2-methylpropylideneamino)butanediamide
SMILESCC(C)C=NNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-12(2)10-17-18-15(20)9-8-14(19)16-11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyTVEHEYNUHGZQRB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.84
Rot. Bonds7

About N-benzyl-N'-(2-methylpropylideneamino)butanediamide

N-benzyl-N'-(2-methylpropylideneamino)butanediamide (PubChem CID 4924753) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-benzyl-N'-(2-methylpropylideneamino)butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(2-methylpropylideneamino)butanediamide
PubChem CID4924753
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-benzyl-N'-(2-methylpropylideneamino)butanediamide
SMILESCC(C)C=NNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-12(2)10-17-18-15(20)9-8-14(19)16-11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyTVEHEYNUHGZQRB-UHFFFAOYSA-N
XLogP1.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-[(E)-benzylideneamino]hexanediamide
CID 56689025
N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide
CID 3285949
N-benzyl-N'-(3,7-dimethylocta-2,6-dienylideneamino)butanediamide
CID 3317307
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
N-benzyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 3813231
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
N-benzyl-4,4-difluorobutanamide
CID 132965820
N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 5141586
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3144325
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N'-benzylbutanediamide
CID 4682951

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-methylpropylideneamino)butanediamide?
The IUPAC name of N-benzyl-N'-(2-methylpropylideneamino)butanediamide (CID 4924753) is N-benzyl-N'-(2-methylpropylideneamino)butanediamide.
What is the SMILES notation for N-benzyl-N'-(2-methylpropylideneamino)butanediamide?
The canonical SMILES for N-benzyl-N'-(2-methylpropylideneamino)butanediamide is CC(C)C=NNC(=O)CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-(2-methylpropylideneamino)butanediamide?
The InChIKey is TVEHEYNUHGZQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(2)10-17-18-15(20)9-8-14(19)16-11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,16,19)(H,18,20).
What are the key properties of N-benzyl-N'-(2-methylpropylideneamino)butanediamide?
N-benzyl-N'-(2-methylpropylideneamino)butanediamide has a molecular weight of 275.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-methylpropylideneamino)butanediamide is sourced from PubChem (CID 4924753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).