N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide

C14H27N3O2 — CID 54996325

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(C)N(CC/C(N)=N/O)C(=O)CC1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-11(2)17(9-8-13(15)16-19)14(18)10-12-6-4-3-5-7-12/h11-12,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyMYBAGDXMDONBIT-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.33
Rot. Bonds6

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide (PubChem CID 54996325) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide
PubChem CID54996325
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(C)N(CC/C(N)=N/O)C(=O)CC1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-11(2)17(9-8-13(15)16-19)14(18)10-12-6-4-3-5-7-12/h11-12,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyMYBAGDXMDONBIT-UHFFFAOYSA-N
XLogP2.33
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.33
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-cyclohexyl-N-propan-2-ylacetamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide (CID 54996325) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide is CC(C)N(CC/C(N)=N/O)C(=O)CC1CCCCC1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide?
The InChIKey is MYBAGDXMDONBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)17(9-8-13(15)16-19)14(18)10-12-6-4-3-5-7-12/h11-12,19H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-propan-2-ylacetamide has a molecular weight of 269.39 g/mol, XLogP of 2.33, 6 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-cyclohexyl-N-propan-2-ylacetamide is sourced from PubChem (CID 54996325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).