N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide

C32H46N4O4 — CID 17194651

IUPACN,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCCCCCCCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1
InChIInChI=1S/C32H46N4O4/c1-5-35(6-2)31(39)25-17-15-19-27(23-25)33-29(37)21-13-11-9-10-12-14-22-30(38)34-28-20-16-18-26(24-28)32(40)36(7-3)8-4/h15-20,23-24H,5-14,21-22H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyRHKOIQXREMIBDA-UHFFFAOYSA-N
MW550.74 g/mol
LogP6.35
Rot. Bonds17

About N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide

N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide (PubChem CID 17194651) has the molecular formula C32H46N4O4 and a molecular weight of 550.74 g/mol. Its IUPAC name is N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
PubChem CID17194651
Molecular FormulaC32H46N4O4
Molecular Weight550.74 g/mol
Exact Mass550.35
IUPAC NameN,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCCCCCCCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1
InChIInChI=1S/C32H46N4O4/c1-5-35(6-2)31(39)25-17-15-19-27(23-25)33-29(37)21-13-11-9-10-12-14-22-30(38)34-28-20-16-18-26(24-28)32(40)36(7-3)8-4/h15-20,23-24H,5-14,21-22H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyRHKOIQXREMIBDA-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

N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 9093109
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562
N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 40700702
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide?
The IUPAC name of N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide (CID 17194651) is N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide.
What is the SMILES notation for N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide?
The canonical SMILES for N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide is CCN(CC)C(=O)c1cccc(NC(=O)CCCCCCCCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1.
What is the InChIKey of N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide?
The InChIKey is RHKOIQXREMIBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O4/c1-5-35(6-2)31(39)25-17-15-19-27(23-25)33-29(37)21-13-11-9-10-12-14-22-30(38)34-28-20-16-18-26(24-28)32(40)36(7-3)8-4/h15-20,23-24H,5-14,21-22H2,1-4H3,(H,33,37)(H,34,38).
What are the key properties of N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide?
N,N'-bis[3-(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[3-(diethylcarbamoyl)phenyl]decanediamide is sourced from PubChem (CID 17194651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).