N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide

C14H21N3O3 — CID 76935003

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide
SMILESCCN(CCC(N)=NO)C(=O)C(OC)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-3-17(10-9-12(15)16-19)14(18)13(20-2)11-7-5-4-6-8-11/h4-8,13,19H,3,9-10H2,1-2H3,(H2,15,16)
InChIKeyQWIZETWXUPSKHW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.36
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide (PubChem CID 76935003) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide
PubChem CID76935003
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide
SMILESCCN(CCC(N)=NO)C(=O)C(OC)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-3-17(10-9-12(15)16-19)14(18)13(20-2)11-7-5-4-6-8-11/h4-8,13,19H,3,9-10H2,1-2H3,(H2,15,16)
InChIKeyQWIZETWXUPSKHW-UHFFFAOYSA-N
XLogP1.36
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
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

N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide
CID 76935034
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methoxy-2-phenylacetamide
CID 79380883
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide
CID 77015678
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104521764
N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide
CID 76934963
(2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide
CID 94352405
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide
CID 54992509
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310813
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067
3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide
CID 76975359
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894024
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide (CID 76935003) is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide is CCN(CCC(N)=NO)C(=O)C(OC)c1ccccc1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide?
The InChIKey is QWIZETWXUPSKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-17(10-9-12(15)16-19)14(18)13(20-2)11-7-5-4-6-8-11/h4-8,13,19H,3,9-10H2,1-2H3,(H2,15,16).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide?
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide has a molecular weight of 279.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 76935003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).