CID 11387980

C22H24NO3 — CID 11387980

IUPAC—
SMILESCOC(=O)[C@H]1[C@@H](c2ccc(C(=O)[C]3[CH][CH][CH][CH]3)cc2)C[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C22H24NO3/c1-23-17-11-12-19(23)20(22(25)26-2)18(13-17)14-7-9-16(10-8-14)21(24)15-5-3-4-6-15/h3-10,17-20H,11-13H2,1-2H3/t17-,18+,19+,20-/m0/s1
InChIKeyRAKDSMKCLZWZLW-NMLBUPMWSA-N
MW350.44 g/mol
LogP3.01
Rot. Bonds4

About CID 11387980

CID 11387980 (PubChem CID 11387980) has the molecular formula C22H24NO3 and a molecular weight of 350.44 g/mol.

Molecular Properties

Compound NameCID 11387980
PubChem CID11387980
Molecular FormulaC22H24NO3
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name—
SMILESCOC(=O)[C@H]1[C@@H](c2ccc(C(=O)[C]3[CH][CH][CH][CH]3)cc2)C[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C22H24NO3/c1-23-17-11-12-19(23)20(22(25)26-2)18(13-17)14-7-9-16(10-8-14)21(24)15-5-3-4-6-15/h3-10,17-20H,11-13H2,1-2H3/t17-,18+,19+,20-/m0/s1
InChIKeyRAKDSMKCLZWZLW-NMLBUPMWSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 10232220
CID 10232220
methyl (1R,2S,3S,5S)-3-[4-(4-acetylphenyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 101047525
methyl (1S,2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 67781854
methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 644015
methyl (1R,2R,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 98094965
methyl (1R,2R,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 11385480
methyl (1S,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 165339397
methyl 3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
CID 91995540
methyl (2S,3S)-8-methyl-3-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 45481774
methyl (2S,3S)-3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 69136624
methyl 8-methyl-3-[4-(2-phenylethyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 22896928
methyl (1R,2S,3S,5S)-3-[4-[(E)-2-iodoethenyl]phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10894873

Frequently Asked Questions

What is the IUPAC name of CID 11387980?
The IUPAC name of CID 11387980 (CID 11387980) is not available.
What is the SMILES notation for CID 11387980?
The canonical SMILES for CID 11387980 is COC(=O)[C@H]1[C@@H](c2ccc(C(=O)[C]3[CH][CH][CH][CH]3)cc2)C[C@@H]2CC[C@H]1N2C.
What is the InChIKey of CID 11387980?
The InChIKey is RAKDSMKCLZWZLW-NMLBUPMWSA-N. The full InChI is InChI=1S/C22H24NO3/c1-23-17-11-12-19(23)20(22(25)26-2)18(13-17)14-7-9-16(10-8-14)21(24)15-5-3-4-6-15/h3-10,17-20H,11-13H2,1-2H3/t17-,18+,19+,20-/m0/s1.
What are the key properties of CID 11387980?
CID 11387980 has a molecular weight of 350.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11387980 is sourced from PubChem (CID 11387980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).