N-butyl-N-ethyladamantane-2-carboxamide

C17H29NO — CID 86910306

IUPACN-butyl-N-ethyladamantane-2-carboxamide
SMILESCCCCN(CC)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29NO/c1-3-5-6-18(4-2)17(19)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,3-11H2,1-2H3
InChIKeyWOEWTFTVIPUYQL-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.71
Rot. Bonds5

About N-butyl-N-ethyladamantane-2-carboxamide

N-butyl-N-ethyladamantane-2-carboxamide (PubChem CID 86910306) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-butyl-N-ethyladamantane-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyladamantane-2-carboxamide
PubChem CID86910306
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-butyl-N-ethyladamantane-2-carboxamide
SMILESCCCCN(CC)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29NO/c1-3-5-6-18(4-2)17(19)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,3-11H2,1-2H3
InChIKeyWOEWTFTVIPUYQL-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyladamantane-2-carboxamide?
The IUPAC name of N-butyl-N-ethyladamantane-2-carboxamide (CID 86910306) is N-butyl-N-ethyladamantane-2-carboxamide.
What is the SMILES notation for N-butyl-N-ethyladamantane-2-carboxamide?
The canonical SMILES for N-butyl-N-ethyladamantane-2-carboxamide is CCCCN(CC)C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-butyl-N-ethyladamantane-2-carboxamide?
The InChIKey is WOEWTFTVIPUYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-5-6-18(4-2)17(19)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,3-11H2,1-2H3.
What are the key properties of N-butyl-N-ethyladamantane-2-carboxamide?
N-butyl-N-ethyladamantane-2-carboxamide has a molecular weight of 263.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyladamantane-2-carboxamide is sourced from PubChem (CID 86910306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).