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

C20H26N2O2 — CID 154461826

IUPACN-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C)[C@@H](CN1CCOCC1)NC(=O)C1=C2C=C3CC3=C2C=C1
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/h4-5,11,18H,6-10,12H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyFHXIISNTKBPIEG-GOSISDBHSA-N
MW326.44 g/mol
LogP2.36
Rot. Bonds4

About 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

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 (PubChem CID 154461826) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID154461826
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C)[C@@H](CN1CCOCC1)NC(=O)C1=C2C=C3CC3=C2C=C1
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/h4-5,11,18H,6-10,12H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyFHXIISNTKBPIEG-GOSISDBHSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of 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?
The InChIKey is FHXIISNTKBPIEG-GOSISDBHSA-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/h4-5,11,18H,6-10,12H2,1-3H3,(H,21,23)/t18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 326.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154461826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).