N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide

C12H23N3O3 — CID 79763170

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide
SMILESCCN(CC(C)C(N)=NO)C(=O)C1CCOC1C
InChIInChI=1S/C12H23N3O3/c1-4-15(7-8(2)11(13)14-17)12(16)10-5-6-18-9(10)3/h8-10,17H,4-7H2,1-3H3,(H2,13,14)
InChIKeyNJKQYUKUXBDFMR-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.64
Rot. Bonds5

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide (PubChem CID 79763170) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide
PubChem CID79763170
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide
SMILESCCN(CC(C)C(N)=NO)C(=O)C1CCOC1C
InChIInChI=1S/C12H23N3O3/c1-4-15(7-8(2)11(13)14-17)12(16)10-5-6-18-9(10)3/h8-10,17H,4-7H2,1-3H3,(H2,13,14)
InChIKeyNJKQYUKUXBDFMR-UHFFFAOYSA-N
XLogP0.64
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.64
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-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide
CID 79762647
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-3-(oxolan-2-yl)propanamide
CID 77057849
methyl 2-methyl-3-[methyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79763237
N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide
CID 79763533
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide
CID 54987486
1-(3-amino-3-hydroxyimino-2-methylpropyl)-1-ethyl-3-propan-2-ylurea
CID 76910719
(2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide
CID 129399481
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 76910906
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-tert-butyl-1-ethylurea
CID 54988667
N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide
CID 79750666
methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79762794
N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide
CID 79759277

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide (CID 79763170) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide is CCN(CC(C)C(N)=NO)C(=O)C1CCOC1C.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide?
The InChIKey is NJKQYUKUXBDFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-15(7-8(2)11(13)14-17)12(16)10-5-6-18-9(10)3/h8-10,17H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79763170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).