(3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide

C11H21N3O3 — CID 55225686

IUPAC(3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
SMILESCC(C(=O)N(C)CC1CCCOC1)/C(N)=N/O
InChIInChI=1S/C11H21N3O3/c1-8(10(12)13-16)11(15)14(2)6-9-4-3-5-17-7-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyBSFUVCGHCLOBPN-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.25
Rot. Bonds4

About (3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide (PubChem CID 55225686) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
PubChem CID55225686
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
SMILESCC(C(=O)N(C)CC1CCCOC1)/C(N)=N/O
InChIInChI=1S/C11H21N3O3/c1-8(10(12)13-16)11(15)14(2)6-9-4-3-5-17-7-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyBSFUVCGHCLOBPN-UHFFFAOYSA-N
XLogP0.25
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.25
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide (CID 55225686) is (3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide is CC(C(=O)N(C)CC1CCCOC1)/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
The InChIKey is BSFUVCGHCLOBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(10(12)13-16)11(15)14(2)6-9-4-3-5-17-7-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide has a molecular weight of 243.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide is sourced from PubChem (CID 55225686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).