N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide

C15H25N3O2 — CID 76926472

IUPACN-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C15H25N3O2/c1-2-12(13(16)18-20)14(19)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h9-12,20H,2-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyHOTSKVQYXSCCER-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.84
Rot. Bonds4

About N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide

N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76926472) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76926472
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C15H25N3O2/c1-2-12(13(16)18-20)14(19)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h9-12,20H,2-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyHOTSKVQYXSCCER-UHFFFAOYSA-N
XLogP1.84
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.84
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'}

Analyze N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(hydroxyimino)-1-adamantyl]acetamide
CID 44827873
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylcyclohexyl)butanamide
CID 61872873
N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920651
N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide
CID 76926327
N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926473
N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926474
2-(N'-hydroxycarbamimidoyl)-N-(1-methylcyclohexyl)butanamide
CID 76927379
3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide
CID 79987067
3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide
CID 79988898
N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80593135
N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80593136
N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 81752329

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76926472) is N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(C(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=NO.
What is the InChIKey of N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is HOTSKVQYXSCCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-12(13(16)18-20)14(19)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h9-12,20H,2-8H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 279.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76926472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).