3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide

C11H22N4O3 — CID 104921095

IUPAC3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide
SMILESCCN1CCOC(CNC(=O)C(C)C(N)=NO)C1
InChIInChI=1S/C11H22N4O3/c1-3-15-4-5-18-9(7-15)6-13-11(16)8(2)10(12)14-17/h8-9,17H,3-7H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyLASVBERFLMONCW-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.79
Rot. Bonds5

About 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide (PubChem CID 104921095) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide
PubChem CID104921095
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide
SMILESCCN1CCOC(CNC(=O)C(C)C(N)=NO)C1
InChIInChI=1S/C11H22N4O3/c1-3-15-4-5-18-9(7-15)6-13-11(16)8(2)10(12)14-17/h8-9,17H,3-7H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyLASVBERFLMONCW-UHFFFAOYSA-N
XLogP-0.79
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 104921088
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
CID 114399970
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid
CID 114400927
2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
CID 114400930
2-(cyclopropylamino)-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 115976412
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 114399963
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide (CID 104921095) is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide is CCN1CCOC(CNC(=O)C(C)C(N)=NO)C1.
What is the InChIKey of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide?
The InChIKey is LASVBERFLMONCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-3-15-4-5-18-9(7-15)6-13-11(16)8(2)10(12)14-17/h8-9,17H,3-7H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide?
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide has a molecular weight of 258.32 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 104921095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).