N-butyladamantane-1-carboxamide

C15H25NO — CID 585486

IUPACN-butyladamantane-1-carboxamide
SMILESCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-2-3-4-16-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyYDRGHKXNXAMLKY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.12
Rot. Bonds4

About N-butyladamantane-1-carboxamide

N-butyladamantane-1-carboxamide (PubChem CID 585486) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-butyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-butyladamantane-1-carboxamide
PubChem CID585486
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-butyladamantane-1-carboxamide
SMILESCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-2-3-4-16-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyYDRGHKXNXAMLKY-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyladamantane-1-carboxamide?
The IUPAC name of N-butyladamantane-1-carboxamide (CID 585486) is N-butyladamantane-1-carboxamide.
What is the SMILES notation for N-butyladamantane-1-carboxamide?
The canonical SMILES for N-butyladamantane-1-carboxamide is CCCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-butyladamantane-1-carboxamide?
The InChIKey is YDRGHKXNXAMLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-4-16-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of N-butyladamantane-1-carboxamide?
N-butyladamantane-1-carboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyladamantane-1-carboxamide is sourced from PubChem (CID 585486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).