N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide

C13H27N3O2 — CID 55103353

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide
SMILESCCC(C)(C)C(=O)N(CC/C(N)=N/O)CC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-13(4,5)12(17)16(9-10(2)3)8-7-11(14)15-18/h10,18H,6-9H2,1-5H3,(H2,14,15)
InChIKeyNRBADOFXDPUEGS-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.04
Rot. Bonds7

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide (PubChem CID 55103353) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide
PubChem CID55103353
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide
SMILESCCC(C)(C)C(=O)N(CC/C(N)=N/O)CC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-13(4,5)12(17)16(9-10(2)3)8-7-11(14)15-18/h10,18H,6-9H2,1-5H3,(H2,14,15)
InChIKeyNRBADOFXDPUEGS-UHFFFAOYSA-N
XLogP2.04
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
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 N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide (CID 55103353) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide is CCC(C)(C)C(=O)N(CC/C(N)=N/O)CC(C)C.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide?
The InChIKey is NRBADOFXDPUEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-13(4,5)12(17)16(9-10(2)3)8-7-11(14)15-18/h10,18H,6-9H2,1-5H3,(H2,14,15).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide has a molecular weight of 257.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 55103353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).