(2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

C20H26N2O2 — CID 123570623

IUPAC(2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)(C)[C@@H](CN1CCOCC1)NC(=O)C1=CC=C2C1=CC1=C[C@@H]12
InChIInChI=1S/C20H26N2O2/c1-20(2,3)18(12-22-6-8-24-9-7-22)21-19(23)15-5-4-14-16-10-13(16)11-17(14)15/h4-5,10-11,16,18H,6-9,12H2,1-3H3,(H,21,23)/t16-,18+/m0/s1
InChIKeyRDUQXBFFPOGPBG-FUHWJXTLSA-N
MW326.44 g/mol
LogP2.21
Rot. Bonds4

About (2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

(2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123570623) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123570623
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)(C)[C@@H](CN1CCOCC1)NC(=O)C1=CC=C2C1=CC1=C[C@@H]12
InChIInChI=1S/C20H26N2O2/c1-20(2,3)18(12-22-6-8-24-9-7-22)21-19(23)15-5-4-14-16-10-13(16)11-17(14)15/h4-5,10-11,16,18H,6-9,12H2,1-3H3,(H,21,23)/t16-,18+/m0/s1
InChIKeyRDUQXBFFPOGPBG-FUHWJXTLSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide with MolForge

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Related Compounds

(5E)-4,6-dimethylidene-N-(2-morpholin-4-ylethyl)-5-[(2Z)-3-prop-1-en-2-yl-6-propylnona-2,8-dienylidene]cyclohexene-1-carboxamide
CID 123167358
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123234424
(2S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123395125
N-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123681801
N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123964507
N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 154461826
N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide
CID 166251198

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of (2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123570623) is (2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)C1=CC=C2C1=CC1=C[C@@H]12.
What is the InChIKey of (2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is RDUQXBFFPOGPBG-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-20(2,3)18(12-22-6-8-24-9-7-22)21-19(23)15-5-4-14-16-10-13(16)11-17(14)15/h4-5,10-11,16,18H,6-9,12H2,1-3H3,(H,21,23)/t16-,18+/m0/s1.
What are the key properties of (2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
(2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123570623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).