N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide

C13H25N3O2 — CID 76987836

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide
SMILESCC(CC(N)=NO)N(C)C(=O)CCC1CCCC1
InChIInChI=1S/C13H25N3O2/c1-10(9-12(14)15-18)16(2)13(17)8-7-11-5-3-4-6-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyMXRYKCYRRYOCBD-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.94
Rot. Bonds6

About N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide (PubChem CID 76987836) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide
PubChem CID76987836
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide
SMILESCC(CC(N)=NO)N(C)C(=O)CCC1CCCC1
InChIInChI=1S/C13H25N3O2/c1-10(9-12(14)15-18)16(2)13(17)8-7-11-5-3-4-6-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyMXRYKCYRRYOCBD-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
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-cyclopropyl-N-methylacetamide
CID 76987659
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
N-(1-bromopropan-2-yl)-3-cyclohexyl-N-methylpropanamide
CID 104556269
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 77015069
N-butan-2-yl-4-cyclohexyl-N-methylbutanamide
CID 112817760
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
CID 76987705
3-(3-aminocyclohexyl)-N-butan-2-yl-N-methylpropanamide
CID 80701676
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide
CID 103022109
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylthiolane-2-carboxamide
CID 77021525
1-(4-amino-4-hydroxyiminobutan-2-yl)-1-methyl-3-propan-2-ylurea
CID 76987840
3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104873509
3-cyclohexyl-N,N-di(propan-2-yl)propanamide
CID 4560477

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide (CID 76987836) is N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide is CC(CC(N)=NO)N(C)C(=O)CCC1CCCC1.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide?
The InChIKey is MXRYKCYRRYOCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(9-12(14)15-18)16(2)13(17)8-7-11-5-3-4-6-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide is sourced from PubChem (CID 76987836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).