(1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C23H33N3O — CID 110199415

IUPAC(1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(Cc2cn(C)c3ccccc23)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C23H33N3O/c1-24-14-7-3-4-8-15-26(22-13-9-11-20(22)23(24)27)17-18-16-25(2)21-12-6-5-10-19(18)21/h5-6,10,12,16,20,22H,3-4,7-9,11,13-15,17H2,1-2H3/t20-,22+/m1/s1
InChIKeyQLJIJXMWWXTBTO-IRLDBZIGSA-N
MW367.54 g/mol
LogP4.18
Rot. Bonds2

About (1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199415) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is (1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199415
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name(1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(Cc2cn(C)c3ccccc23)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C23H33N3O/c1-24-14-7-3-4-8-15-26(22-13-9-11-20(22)23(24)27)17-18-16-25(2)21-12-6-5-10-19(18)21/h5-6,10,12,16,20,22H,3-4,7-9,11,13-15,17H2,1-2H3/t20-,22+/m1/s1
InChIKeyQLJIJXMWWXTBTO-IRLDBZIGSA-N
XLogP4.18
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199415) is (1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one is CN1CCCCCCN(Cc2cn(C)c3ccccc23)[C@H]2CCC[C@H]2C1=O.
What is the InChIKey of (1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is QLJIJXMWWXTBTO-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H33N3O/c1-24-14-7-3-4-8-15-26(22-13-9-11-20(22)23(24)27)17-18-16-25(2)21-12-6-5-10-19(18)21/h5-6,10,12,16,20,22H,3-4,7-9,11,13-15,17H2,1-2H3/t20-,22+/m1/s1.
What are the key properties of (1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 367.54 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).