2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide

C16H33N3O2 — CID 83142236

IUPAC2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide
SMILESCCCC(CCC)(C(=O)NCC(C)C(C)(C)C)C(N)=NO
InChIInChI=1S/C16H33N3O2/c1-7-9-16(10-8-2,13(17)19-21)14(20)18-11-12(3)15(4,5)6/h12,21H,7-11H2,1-6H3,(H2,17,19)(H,18,20)
InChIKeyXBNBSLPJIBBVQV-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.12
Rot. Bonds8

About 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide

2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide (PubChem CID 83142236) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide
PubChem CID83142236
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide
SMILESCCCC(CCC)(C(=O)NCC(C)C(C)(C)C)C(N)=NO
InChIInChI=1S/C16H33N3O2/c1-7-9-16(10-8-2,13(17)19-21)14(20)18-11-12(3)15(4,5)6/h12,21H,7-11H2,1-6H3,(H2,17,19)(H,18,20)
InChIKeyXBNBSLPJIBBVQV-UHFFFAOYSA-N
XLogP3.12
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide (CID 83142236) is 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide is CCCC(CCC)(C(=O)NCC(C)C(C)(C)C)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide?
The InChIKey is XBNBSLPJIBBVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-7-9-16(10-8-2,13(17)19-21)14(20)18-11-12(3)15(4,5)6/h12,21H,7-11H2,1-6H3,(H2,17,19)(H,18,20).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide?
2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide has a molecular weight of 299.46 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide is sourced from PubChem (CID 83142236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).