N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide

C16H27N3O2 — CID 76910496

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide
SMILESCCN(CCC(N)=NO)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N3O2/c1-2-19(4-3-14(17)18-21)15(20)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13,21H,2-10H2,1H3,(H2,17,18)
InChIKeyJBNQGZSMJZAZGQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.19
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide (PubChem CID 76910496) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide
PubChem CID76910496
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide
SMILESCCN(CCC(N)=NO)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N3O2/c1-2-19(4-3-14(17)18-21)15(20)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13,21H,2-10H2,1H3,(H2,17,18)
InChIKeyJBNQGZSMJZAZGQ-UHFFFAOYSA-N
XLogP2.19
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
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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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide (CID 76910496) is N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide is CCN(CCC(N)=NO)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide?
The InChIKey is JBNQGZSMJZAZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-19(4-3-14(17)18-21)15(20)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13,21H,2-10H2,1H3,(H2,17,18).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide has a molecular weight of 293.41 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-hydroxyiminopropyl)-N-ethyladamantane-1-carboxamide is sourced from PubChem (CID 76910496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).