(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide

C15H23N3O2 — CID 106330934

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
SMILESCCC(C)(CC)NC(=O)C(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-4-15(3,5-2)17-14(19)12(13(16)18-20)11-9-7-6-8-10-11/h6-10,12,20H,4-5H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyXZJLNJINQZDASE-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.21
Rot. Bonds6

About (3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide

(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide (PubChem CID 106330934) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
PubChem CID106330934
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
SMILESCCC(C)(CC)NC(=O)C(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-4-15(3,5-2)17-14(19)12(13(16)18-20)11-9-7-6-8-10-11/h6-10,12,20H,4-5H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyXZJLNJINQZDASE-UHFFFAOYSA-N
XLogP2.21
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.21
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

3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921
(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
CID 55128874
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106295261
2-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide
CID 106328752
N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide
CID 106164437
3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 76975321
3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 76975364
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119951541
3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 76975438
(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide
CID 55128922
N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide
CID 114314563

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide (CID 106330934) is (3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide is CCC(C)(CC)NC(=O)C(/C(N)=N/O)c1ccccc1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide?
The InChIKey is XZJLNJINQZDASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-15(3,5-2)17-14(19)12(13(16)18-20)11-9-7-6-8-10-11/h6-10,12,20H,4-5H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide?
(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide is sourced from PubChem (CID 106330934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).