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

C16H18N2O2 — CID 123964507

IUPACN-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NCCN1CCOCC1)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C16H18N2O2/c19-16(17-3-4-18-5-7-20-8-6-18)13-2-1-12-14-9-11(14)10-15(12)13/h1-2,9-10,14H,3-8H2,(H,17,19)
InChIKeyMODYMJKZLSLTBG-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.80
Rot. Bonds4

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

N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123964507) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123964507
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NCCN1CCOCC1)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C16H18N2O2/c19-16(17-3-4-18-5-7-20-8-6-18)13-2-1-12-14-9-11(14)10-15(12)13/h1-2,9-10,14H,3-8H2,(H,17,19)
InChIKeyMODYMJKZLSLTBG-UHFFFAOYSA-N
XLogP0.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 25459606
(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-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123412954
(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
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)-2-(4-propan-2-ylcyclohex-3-en-1-yl)acetamide
CID 178632553

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123964507) is N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is O=C(NCCN1CCOCC1)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is MODYMJKZLSLTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(17-3-4-18-5-7-20-8-6-18)13-2-1-12-14-9-11(14)10-15(12)13/h1-2,9-10,14H,3-8H2,(H,17,19).
What are the key properties of N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123964507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).