3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide

C14H19N3O3 — CID 76975426

IUPAC3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide
SMILESNC(=NO)C(C(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C14H19N3O3/c15-13(17-19)12(10-5-2-1-3-6-10)14(18)16-9-11-7-4-8-20-11/h1-3,5-6,11-12,19H,4,7-9H2,(H2,15,17)(H,16,18)
InChIKeyZFTVFDKKNOYHOX-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.81
Rot. Bonds5

About 3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide

3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide (PubChem CID 76975426) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide
PubChem CID76975426
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide
SMILESNC(=NO)C(C(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C14H19N3O3/c15-13(17-19)12(10-5-2-1-3-6-10)14(18)16-9-11-7-4-8-20-11/h1-3,5-6,11-12,19H,4,7-9H2,(H2,15,17)(H,16,18)
InChIKeyZFTVFDKKNOYHOX-UHFFFAOYSA-N
XLogP0.81
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
CID 16523743
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872
(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 129432264
3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 76975321
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide
CID 29135523
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide (CID 76975426) is 3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide is NC(=NO)C(C(=O)NCC1CCCO1)c1ccccc1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide?
The InChIKey is ZFTVFDKKNOYHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-13(17-19)12(10-5-2-1-3-6-10)14(18)16-9-11-7-4-8-20-11/h1-3,5-6,11-12,19H,4,7-9H2,(H2,15,17)(H,16,18).
What are the key properties of 3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide?
3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide has a molecular weight of 277.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide is sourced from PubChem (CID 76975426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).