2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide

C15H29N3O2 — CID 79350525

IUPAC2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
SMILESCCC(CC)(C(=O)NCC1C(C)(C)C1(C)C)C(N)=NO
InChIInChI=1S/C15H29N3O2/c1-7-15(8-2,11(16)18-20)12(19)17-9-10-13(3,4)14(10,5)6/h10,20H,7-9H2,1-6H3,(H2,16,18)(H,17,19)
InChIKeyXVHVSNPMZVVYNA-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.34
Rot. Bonds6

About 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide (PubChem CID 79350525) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
PubChem CID79350525
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
SMILESCCC(CC)(C(=O)NCC1C(C)(C)C1(C)C)C(N)=NO
InChIInChI=1S/C15H29N3O2/c1-7-15(8-2,11(16)18-20)12(19)17-9-10-13(3,4)14(10,5)6/h10,20H,7-9H2,1-6H3,(H2,16,18)(H,17,19)
InChIKeyXVHVSNPMZVVYNA-UHFFFAOYSA-N
XLogP2.34
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.34
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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Related Compounds

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(thian-4-ylmethyl)butanamide
CID 104866189
2-amino-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79810605
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 106279632
N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920697
2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide
CID 83023535
2,2-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79357275
2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920790
N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 104864369
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106341719
2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350697
2-(ethylamino)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79362603
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 76928560

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide (CID 79350525) is 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The canonical SMILES for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide is CCC(CC)(C(=O)NCC1C(C)(C)C1(C)C)C(N)=NO.
What is the InChIKey of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The InChIKey is XVHVSNPMZVVYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-7-15(8-2,11(16)18-20)12(19)17-9-10-13(3,4)14(10,5)6/h10,20H,7-9H2,1-6H3,(H2,16,18)(H,17,19).
What are the key properties of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide has a molecular weight of 283.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 79350525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).