N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide

C32H46N4O4 — CID 17196837

IUPACN,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C32H46N4O4/c1-5-35(6-2)31(39)25-17-21-27(22-18-25)33-29(37)15-13-11-9-10-12-14-16-30(38)34-28-23-19-26(20-24-28)32(40)36(7-3)8-4/h17-24H,5-16H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyDYSWNBIJXPWCNC-UHFFFAOYSA-N
MW550.74 g/mol
LogP6.35
Rot. Bonds17

About N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide

N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide (PubChem CID 17196837) has the molecular formula C32H46N4O4 and a molecular weight of 550.74 g/mol. Its IUPAC name is N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
PubChem CID17196837
Molecular FormulaC32H46N4O4
Molecular Weight550.74 g/mol
Exact Mass550.35
IUPAC NameN,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C32H46N4O4/c1-5-35(6-2)31(39)25-17-21-27(22-18-25)33-29(37)15-13-11-9-10-12-14-16-30(38)34-28-23-19-26(20-24-28)32(40)36(7-3)8-4/h17-24H,5-16H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyDYSWNBIJXPWCNC-UHFFFAOYSA-N
XLogP6.35
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.74
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-dimethyl-4-(octanoylamino)benzamide
CID 17231205
N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34317120
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid
CID 119177704
4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542934
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
CID 54808879
4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54815634
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
CID 120608128

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide?
The IUPAC name of N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide (CID 17196837) is N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide.
What is the SMILES notation for N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide?
The canonical SMILES for N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide is CCN(CC)C(=O)c1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide?
The InChIKey is DYSWNBIJXPWCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O4/c1-5-35(6-2)31(39)25-17-21-27(22-18-25)33-29(37)15-13-11-9-10-12-14-16-30(38)34-28-23-19-26(20-24-28)32(40)36(7-3)8-4/h17-24H,5-16H2,1-4H3,(H,33,37)(H,34,38).
What are the key properties of N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide?
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide has a molecular weight of 550.74 g/mol, XLogP of 6.35, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide is sourced from PubChem (CID 17196837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).