(1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide

C21H35NO — CID 141216913

IUPAC(1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)C1CC3CC[C@]1(C)C3(C)C)C2
InChIInChI=1S/C21H35NO/c1-18(2)13-7-9-20(18,5)15(11-13)17(23)22-16-12-14-8-10-21(16,6)19(14,3)4/h13-16H,7-12H2,1-6H3,(H,22,23)/t13?,14?,15?,16?,20-,21?/m0/s1
InChIKeyNSWGVXYKGUNNDB-DUQZGXBWSA-N
MW317.52 g/mol
LogP4.78
Rot. Bonds2

About (1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide

(1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 141216913) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is (1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID141216913
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name(1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)C1CC3CC[C@]1(C)C3(C)C)C2
InChIInChI=1S/C21H35NO/c1-18(2)13-7-9-20(18,5)15(11-13)17(23)22-16-12-14-8-10-21(16,6)19(14,3)4/h13-16H,7-12H2,1-6H3,(H,22,23)/t13?,14?,15?,16?,20-,21?/m0/s1
InChIKeyNSWGVXYKGUNNDB-DUQZGXBWSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 141216913) is (1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)C1CC3CC[C@]1(C)C3(C)C)C2.
What is the InChIKey of (1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NSWGVXYKGUNNDB-DUQZGXBWSA-N. The full InChI is InChI=1S/C21H35NO/c1-18(2)13-7-9-20(18,5)15(11-13)17(23)22-16-12-14-8-10-21(16,6)19(14,3)4/h13-16H,7-12H2,1-6H3,(H,22,23)/t13?,14?,15?,16?,20-,21?/m0/s1.
What are the key properties of (1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 317.52 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,7,7-trimethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 141216913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).