N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide

C18H31NO — CID 23987010

IUPACN-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NC(C)(C)C)(C2)C3
InChIInChI=1S/C18H31NO/c1-14(2,3)19-13(20)18-10-15(4)7-16(5,11-18)9-17(6,8-15)12-18/h7-12H2,1-6H3,(H,19,20)
InChIKeyVEZINZUXQKXUPV-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.29
Rot. Bonds1

About N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide

N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide (PubChem CID 23987010) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide
PubChem CID23987010
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NC(C)(C)C)(C2)C3
InChIInChI=1S/C18H31NO/c1-14(2,3)19-13(20)18-10-15(4)7-16(5,11-18)9-17(6,8-15)12-18/h7-12H2,1-6H3,(H,19,20)
InChIKeyVEZINZUXQKXUPV-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide?
The IUPAC name of N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide (CID 23987010) is N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide?
The canonical SMILES for N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide is CC12CC3(C)CC(C)(C1)CC(C(=O)NC(C)(C)C)(C2)C3.
What is the InChIKey of N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide?
The InChIKey is VEZINZUXQKXUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2,3)19-13(20)18-10-15(4)7-16(5,11-18)9-17(6,8-15)12-18/h7-12H2,1-6H3,(H,19,20).
What are the key properties of N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide?
N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide has a molecular weight of 277.45 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,5,7-trimethyladamantane-1-carboxamide is sourced from PubChem (CID 23987010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).