(1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C19H29NO2 — CID 124740567

IUPAC(1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESC[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H29NO2/c1-11(17-8-12-5-6-13(17)7-12)20-19(22)16-9-14-3-2-4-15(10-16)18(14)21/h11-17H,2-10H2,1H3,(H,20,22)/t11-,12-,13-,14-,15+,16?,17-/m0/s1
InChIKeyUUQUWZCPYGMJTA-XZBOJURESA-N
MW303.45 g/mol
LogP3.32
Rot. Bonds3

About (1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

(1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 124740567) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID124740567
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESC[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H29NO2/c1-11(17-8-12-5-6-13(17)7-12)20-19(22)16-9-14-3-2-4-15(10-16)18(14)21/h11-17H,2-10H2,1H3,(H,20,22)/t11-,12-,13-,14-,15+,16?,17-/m0/s1
InChIKeyUUQUWZCPYGMJTA-XZBOJURESA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549827
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977834
(3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 124729471
(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 98600161
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
CID 115583046
(1S,2S,3R,4S)-3-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124712417
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 129429156
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-N'-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2,3,3-tetrafluorobutanediamide
CID 98337286

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 124740567) is (1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is UUQUWZCPYGMJTA-XZBOJURESA-N. The full InChI is InChI=1S/C19H29NO2/c1-11(17-8-12-5-6-13(17)7-12)20-19(22)16-9-14-3-2-4-15(10-16)18(14)21/h11-17H,2-10H2,1H3,(H,20,22)/t11-,12-,13-,14-,15+,16?,17-/m0/s1.
What are the key properties of (1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
(1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 124740567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).