N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide

C16H27N3O2 — CID 76925000

IUPACN-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC(C)C12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C16H27N3O2/c1-9(14(17)19-21)15(20)18-10(2)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13,21H,3-8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyOIBBHWOIYZBOJH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.09
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide

N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide (PubChem CID 76925000) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide
PubChem CID76925000
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC(C)C12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C16H27N3O2/c1-9(14(17)19-21)15(20)18-10(2)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13,21H,3-8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyOIBBHWOIYZBOJH-UHFFFAOYSA-N
XLogP2.09
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide (CID 76925000) is N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide is CC(C(=O)NC(C)C12CC3CC(CC(C3)C1)C2)C(N)=NO.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide?
The InChIKey is OIBBHWOIYZBOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-9(14(17)19-21)15(20)18-10(2)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13,21H,3-8H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide?
N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3-amino-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76925000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).