3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide

C11H21N3O3 — CID 82748784

IUPAC3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide
SMILESCC1OCCC1N(C)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-7-8(5-6-17-7)14(4)10(15)11(2,3)9(12)13-16/h7-8,16H,5-6H2,1-4H3,(H2,12,13)
InChIKeyRNSGZVXXXOZXGC-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.39
Rot. Bonds3

About 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide

3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide (PubChem CID 82748784) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide
PubChem CID82748784
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide
SMILESCC1OCCC1N(C)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-7-8(5-6-17-7)14(4)10(15)11(2,3)9(12)13-16/h7-8,16H,5-6H2,1-4H3,(H2,12,13)
InChIKeyRNSGZVXXXOZXGC-UHFFFAOYSA-N
XLogP0.39
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.39
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

2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)butanamide
CID 82749456
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82749018
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide
CID 76921233
methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
CID 116657138
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82733963
2-amino-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
CID 82743708
1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide
CID 82737876
N-methyl-N-(2-methyloxolan-3-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82745104
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide
CID 82738770
3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide
CID 76919558

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide (CID 82748784) is 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide is CC1OCCC1N(C)C(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide?
The InChIKey is RNSGZVXXXOZXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7-8(5-6-17-7)14(4)10(15)11(2,3)9(12)13-16/h7-8,16H,5-6H2,1-4H3,(H2,12,13).
What are the key properties of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide?
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide has a molecular weight of 243.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide is sourced from PubChem (CID 82748784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).