N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide

C12H23N3O2 — CID 55033618

IUPACN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
SMILESCC(C/C(N)=N/O)NC(=O)CC1CCCCC1
InChIInChI=1S/C12H23N3O2/c1-9(7-11(13)15-17)14-12(16)8-10-5-3-2-4-6-10/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyNQJUNRHLKUFUGM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds5

About N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide

N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide (PubChem CID 55033618) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
PubChem CID55033618
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
SMILESCC(C/C(N)=N/O)NC(=O)CC1CCCCC1
InChIInChI=1S/C12H23N3O2/c1-9(7-11(13)15-17)14-12(16)8-10-5-3-2-4-6-10/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyNQJUNRHLKUFUGM-UHFFFAOYSA-N
XLogP1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide
CID 103166128
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide
CID 76934536
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 77038541
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide
CID 76948274
N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
CID 62089580
N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide
CID 104928892
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxybutanimidamide
CID 81386366

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide (CID 55033618) is N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide is CC(C/C(N)=N/O)NC(=O)CC1CCCCC1.
What is the InChIKey of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide?
The InChIKey is NQJUNRHLKUFUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(7-11(13)15-17)14-12(16)8-10-5-3-2-4-6-10/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide?
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide has a molecular weight of 241.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 55033618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).