N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide

C20H27N3O3 — CID 5147746

IUPACN-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NC1CCN2CCCc3cccc1c32
InChIInChI=1S/C20H27N3O3/c24-18(6-7-19(25)22-11-13-26-14-12-22)21-17-8-10-23-9-2-4-15-3-1-5-16(17)20(15)23/h1,3,5,17H,2,4,6-14H2,(H,21,24)
InChIKeyADSITFCWRDIJSN-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.64
Rot. Bonds4

About N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide

N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 5147746) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID5147746
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NC1CCN2CCCc3cccc1c32
InChIInChI=1S/C20H27N3O3/c24-18(6-7-19(25)22-11-13-26-14-12-22)21-17-8-10-23-9-2-4-15-3-1-5-16(17)20(15)23/h1,3,5,17H,2,4,6-14H2,(H,21,24)
InChIKeyADSITFCWRDIJSN-UHFFFAOYSA-N
XLogP1.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide
CID 3527307
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
4-hydroxy-1-(2-morpholin-4-yl-2-oxoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 170504966
2-(2,3-dihydro-1H-inden-1-ylamino)-1-morpholin-4-ylethanone
CID 43411223
4-(azepan-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)-4-oxobutanamide
CID 135110920
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 91951582
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 112840502
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
CID 28587516
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
CID 28587515

Frequently Asked Questions

What is the IUPAC name of N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide (CID 5147746) is N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide is O=C(CCC(=O)N1CCOCC1)NC1CCN2CCCc3cccc1c32.
What is the InChIKey of N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is ADSITFCWRDIJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-18(6-7-19(25)22-11-13-26-14-12-22)21-17-8-10-23-9-2-4-15-3-1-5-16(17)20(15)23/h1,3,5,17H,2,4,6-14H2,(H,21,24).
What are the key properties of N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide?
N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 357.45 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 5147746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).