N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide

C15H25N3O2 — CID 76952901

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide
SMILESCC(CNC(=O)C12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C15H25N3O2/c1-9(13(16)18-20)8-17-14(19)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12,20H,2-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyJHJHORPQRIAJPO-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.70
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide (PubChem CID 76952901) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide
PubChem CID76952901
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide
SMILESCC(CNC(=O)C12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C15H25N3O2/c1-9(13(16)18-20)8-17-14(19)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12,20H,2-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyJHJHORPQRIAJPO-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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-(3-bromo-2-methylpropyl)adamantane-1-carboxamide
CID 113275308
N-[2-(diethylamino)propyl]adamantane-1-carboxamide
CID 112502200
N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide
CID 76952741
2-[(adamantane-1-carbonylamino)methyl]-4-methylpentanoic acid
CID 119252787
N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide
CID 76947751
N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
CID 111483676
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide
CID 76928107
N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide
CID 76948246
N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide
CID 61126891
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657
N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
CID 76982084
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
CID 77057841

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide (CID 76952901) is N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide is CC(CNC(=O)C12CC3CC(CC(C3)C1)C2)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide?
The InChIKey is JHJHORPQRIAJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-9(13(16)18-20)8-17-14(19)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12,20H,2-8H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 76952901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).