2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide

C11H24N4O2 — CID 55097504

IUPAC2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
SMILESCCC(C(=O)NCCN(C)C(C)C)/C(N)=N/O
InChIInChI=1S/C11H24N4O2/c1-5-9(10(12)14-17)11(16)13-6-7-15(4)8(2)3/h8-9,17H,5-7H2,1-4H3,(H2,12,14)(H,13,16)
InChIKeyCQBPLMUBIPGLKA-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.22
Rot. Bonds7

About 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide

2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide (PubChem CID 55097504) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide.

Molecular Properties

Compound Name2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
PubChem CID55097504
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
SMILESCCC(C(=O)NCCN(C)C(C)C)/C(N)=N/O
InChIInChI=1S/C11H24N4O2/c1-5-9(10(12)14-17)11(16)13-6-7-15(4)8(2)3/h8-9,17H,5-7H2,1-4H3,(H2,12,14)(H,13,16)
InChIKeyCQBPLMUBIPGLKA-UHFFFAOYSA-N
XLogP0.22
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76924799
2-(N'-hydroxycarbamimidoyl)-N-(2,3,3-trimethylbutyl)butanamide
CID 83143925
N-[2-(2,2-difluoroethoxy)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 114128850
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925722
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947361
2-(N'-hydroxycarbamimidoyl)-N-(5-methylsulfanylpentyl)butanamide
CID 114128844
2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350697
2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide
CID 76924759
N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
CID 77031129
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106262399
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76928581

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide?
The IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide (CID 55097504) is 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide.
What is the SMILES notation for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide?
The canonical SMILES for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide is CCC(C(=O)NCCN(C)C(C)C)/C(N)=N/O.
What is the InChIKey of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide?
The InChIKey is CQBPLMUBIPGLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-5-9(10(12)14-17)11(16)13-6-7-15(4)8(2)3/h8-9,17H,5-7H2,1-4H3,(H2,12,14)(H,13,16).
What are the key properties of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide?
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide has a molecular weight of 244.34 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide is sourced from PubChem (CID 55097504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).