N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide

C30H38N4O2 — CID 43911774

IUPACN,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide
SMILESN#CCCN(Cc1ccccc1)C(=O)CCCCCCCCC(=O)N(CCC#N)Cc1ccccc1
InChIInChI=1S/C30H38N4O2/c31-21-13-23-33(25-27-15-7-5-8-16-27)29(35)19-11-3-1-2-4-12-20-30(36)34(24-14-22-32)26-28-17-9-6-10-18-28/h5-10,15-18H,1-4,11-14,19-20,23-26H2
InChIKeyWJSRBASMAIZVMO-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.99
Rot. Bonds17

About N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide

N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide (PubChem CID 43911774) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide.

Molecular Properties

Compound NameN,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide
PubChem CID43911774
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC NameN,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide
SMILESN#CCCN(Cc1ccccc1)C(=O)CCCCCCCCC(=O)N(CCC#N)Cc1ccccc1
InChIInChI=1S/C30H38N4O2/c31-21-13-23-33(25-27-15-7-5-8-16-27)29(35)19-11-3-1-2-4-12-20-30(36)34(24-14-22-32)26-28-17-9-6-10-18-28/h5-10,15-18H,1-4,11-14,19-20,23-26H2
InChIKeyWJSRBASMAIZVMO-UHFFFAOYSA-N
XLogP5.99
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 43911640
N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide
CID 43911644
N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
CID 54786502
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
CID 43911621
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
4-[benzyl(cyanomethyl)amino]-4-oxobutanoic acid
CID 54916538
N-[benzyl(2-cyanoethyl)carbamothioyl]-2-phenylacetamide
CID 43911967
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691

Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide?
The IUPAC name of N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide (CID 43911774) is N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide.
What is the SMILES notation for N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide?
The canonical SMILES for N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide is N#CCCN(Cc1ccccc1)C(=O)CCCCCCCCC(=O)N(CCC#N)Cc1ccccc1.
What is the InChIKey of N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide?
The InChIKey is WJSRBASMAIZVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c31-21-13-23-33(25-27-15-7-5-8-16-27)29(35)19-11-3-1-2-4-12-20-30(36)34(24-14-22-32)26-28-17-9-6-10-18-28/h5-10,15-18H,1-4,11-14,19-20,23-26H2.
What are the key properties of N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide?
N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide has a molecular weight of 486.66 g/mol, XLogP of 5.99, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide is sourced from PubChem (CID 43911774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).