(1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide

C18H25NO3 — CID 11894536

IUPAC(1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(C1[C@H]2CCC[C@@H]1C2c1ccccc1)N(CCO)CCO
InChIInChI=1S/C18H25NO3/c20-11-9-19(10-12-21)18(22)17-14-7-4-8-15(17)16(14)13-5-2-1-3-6-13/h1-3,5-6,14-17,20-21H,4,7-12H2/t14-,15+,16?,17?
InChIKeySFSXRTQHVLUNAR-RYTJFDOTSA-N
MW303.40 g/mol
LogP1.63
Rot. Bonds6

About (1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide

(1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 11894536) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
PubChem CID11894536
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(C1[C@H]2CCC[C@@H]1C2c1ccccc1)N(CCO)CCO
InChIInChI=1S/C18H25NO3/c20-11-9-19(10-12-21)18(22)17-14-7-4-8-15(17)16(14)13-5-2-1-3-6-13/h1-3,5-6,14-17,20-21H,4,7-12H2/t14-,15+,16?,17?
InChIKeySFSXRTQHVLUNAR-RYTJFDOTSA-N
XLogP1.63
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of (1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide (CID 11894536) is (1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for (1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide is O=C(C1[C@H]2CCC[C@@H]1C2c1ccccc1)N(CCO)CCO.
What is the InChIKey of (1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is SFSXRTQHVLUNAR-RYTJFDOTSA-N. The full InChI is InChI=1S/C18H25NO3/c20-11-9-19(10-12-21)18(22)17-14-7-4-8-15(17)16(14)13-5-2-1-3-6-13/h1-3,5-6,14-17,20-21H,4,7-12H2/t14-,15+,16?,17?.
What are the key properties of (1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
(1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 11894536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).