3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide

C14H21N3O2 — CID 76975352

IUPAC3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
SMILESCCC(CC)NC(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-3-11(4-2)16-14(18)12(13(15)17-19)10-8-6-5-7-9-10/h5-9,11-12,19H,3-4H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyBATLOSJWXYOCHA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.82
Rot. Bonds6

About 3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide

3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide (PubChem CID 76975352) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
PubChem CID76975352
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
SMILESCCC(CC)NC(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-3-11(4-2)16-14(18)12(13(15)17-19)10-8-6-5-7-9-10/h5-9,11-12,19H,3-4H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyBATLOSJWXYOCHA-UHFFFAOYSA-N
XLogP1.82
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.82
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

(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
CID 55128874
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921
(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
CID 106330934
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
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106295261
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
3-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 79180897
3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide
CID 76975541
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide
CID 76952952
3-amino-3-hydroxyimino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 76993736

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide (CID 76975352) is 3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide is CCC(CC)NC(=O)C(C(N)=NO)c1ccccc1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide?
The InChIKey is BATLOSJWXYOCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-11(4-2)16-14(18)12(13(15)17-19)10-8-6-5-7-9-10/h5-9,11-12,19H,3-4H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide?
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide is sourced from PubChem (CID 76975352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).