butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium

C16H35N4O2+ — CID 173363008

IUPACbutyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium
SMILESCCCC[NH+](C(=O)N(CC)CC)N(CC)C(=O)N(CC)CC
InChIInChI=1S/C16H34N4O2/c1-7-13-14-20(16(22)18(10-4)11-5)19(12-6)15(21)17(8-2)9-3/h7-14H2,1-6H3/p+1
InChIKeyDNDYTGZSHZPFTH-UHFFFAOYSA-O
MW315.48 g/mol
LogP1.83
Rot. Bonds8

About butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium

butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium (PubChem CID 173363008) has the molecular formula C16H35N4O2+ and a molecular weight of 315.48 g/mol. Its IUPAC name is butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium.

Molecular Properties

Compound Namebutyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium
PubChem CID173363008
Molecular FormulaC16H35N4O2+
Molecular Weight315.48 g/mol
Exact Mass315.28
IUPAC Namebutyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium
SMILESCCCC[NH+](C(=O)N(CC)CC)N(CC)C(=O)N(CC)CC
InChIInChI=1S/C16H34N4O2/c1-7-13-14-20(16(22)18(10-4)11-5)19(12-6)15(21)17(8-2)9-3/h7-14H2,1-6H3/p+1
InChIKeyDNDYTGZSHZPFTH-UHFFFAOYSA-O
XLogP1.83
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium?
The IUPAC name of butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium (CID 173363008) is butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium.
What is the SMILES notation for butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium?
The canonical SMILES for butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium is CCCC[NH+](C(=O)N(CC)CC)N(CC)C(=O)N(CC)CC.
What is the InChIKey of butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium?
The InChIKey is DNDYTGZSHZPFTH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H34N4O2/c1-7-13-14-20(16(22)18(10-4)11-5)19(12-6)15(21)17(8-2)9-3/h7-14H2,1-6H3/p+1.
What are the key properties of butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium?
butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium has a molecular weight of 315.48 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium is sourced from PubChem (CID 173363008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).