3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide

C16H23N3O2 — CID 76975528

IUPAC3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
SMILESCC(C)CN(C(=O)C(C(N)=NO)c1ccccc1)C1CC1
InChIInChI=1S/C16H23N3O2/c1-11(2)10-19(13-8-9-13)16(20)14(15(17)18-21)12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H2,17,18)
InChIKeyUENNMFUCRLXNPL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.16
Rot. Bonds6

About 3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide

3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide (PubChem CID 76975528) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
PubChem CID76975528
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
SMILESCC(C)CN(C(=O)C(C(N)=NO)c1ccccc1)C1CC1
InChIInChI=1S/C16H23N3O2/c1-11(2)10-19(13-8-9-13)16(20)14(15(17)18-21)12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H2,17,18)
InChIKeyUENNMFUCRLXNPL-UHFFFAOYSA-N
XLogP2.16
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.16
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 3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide (CID 76975528) is 3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide is CC(C)CN(C(=O)C(C(N)=NO)c1ccccc1)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide?
The InChIKey is UENNMFUCRLXNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)10-19(13-8-9-13)16(20)14(15(17)18-21)12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H2,17,18).
What are the key properties of 3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide?
3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide is sourced from PubChem (CID 76975528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).