N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide

C14H27N3O2 — CID 104928884

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
SMILESCC(CN(C)C(=O)CC1CCCCCC1)C(N)=NO
InChIInChI=1S/C14H27N3O2/c1-11(14(15)16-19)10-17(2)13(18)9-12-7-5-3-4-6-8-12/h11-12,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyPKCDQBYUQWMRJE-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.19
Rot. Bonds5

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide (PubChem CID 104928884) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
PubChem CID104928884
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
SMILESCC(CN(C)C(=O)CC1CCCCCC1)C(N)=NO
InChIInChI=1S/C14H27N3O2/c1-11(14(15)16-19)10-17(2)13(18)9-12-7-5-3-4-6-8-12/h11-12,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyPKCDQBYUQWMRJE-UHFFFAOYSA-N
XLogP2.19
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.19
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

1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea
CID 54991840
N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 114456979
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107002899
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 76910906
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77067837
2-cyclohexyl-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)acetamide
CID 20608406
N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
CID 115737510
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 43367909
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 114032010
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-cyclopentyl-N-methylpropanamide
CID 54992064
N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide
CID 80670667

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide (CID 104928884) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide is CC(CN(C)C(=O)CC1CCCCCC1)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide?
The InChIKey is PKCDQBYUQWMRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(14(15)16-19)10-17(2)13(18)9-12-7-5-3-4-6-8-12/h11-12,19H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide has a molecular weight of 269.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 104928884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).