3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide

C20H33N3O3 — CID 154816301

IUPAC3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
SMILESCC(=O)NCCC(=O)NC[C@H]1[C@H]2CN(CCC=C(C)C)C[C@]23CC[C@H]1O3
InChIInChI=1S/C20H33N3O3/c1-14(2)5-4-10-23-12-17-16(18-6-8-20(17,13-23)26-18)11-22-19(25)7-9-21-15(3)24/h5,16-18H,4,6-13H2,1-3H3,(H,21,24)(H,22,25)/t16-,17+,18+,20+/m0/s1
InChIKeyJFAURDJOVWTZKD-JRBPQWBISA-N
MW363.50 g/mol
LogP1.46
Rot. Bonds8

About 3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide

3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide (PubChem CID 154816301) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
PubChem CID154816301
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
SMILESCC(=O)NCCC(=O)NC[C@H]1[C@H]2CN(CCC=C(C)C)C[C@]23CC[C@H]1O3
InChIInChI=1S/C20H33N3O3/c1-14(2)5-4-10-23-12-17-16(18-6-8-20(17,13-23)26-18)11-22-19(25)7-9-21-15(3)24/h5,16-18H,4,6-13H2,1-3H3,(H,21,24)(H,22,25)/t16-,17+,18+,20+/m0/s1
InChIKeyJFAURDJOVWTZKD-JRBPQWBISA-N
XLogP1.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide?
The IUPAC name of 3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide (CID 154816301) is 3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide is CC(=O)NCCC(=O)NC[C@H]1[C@H]2CN(CCC=C(C)C)C[C@]23CC[C@H]1O3.
What is the InChIKey of 3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide?
The InChIKey is JFAURDJOVWTZKD-JRBPQWBISA-N. The full InChI is InChI=1S/C20H33N3O3/c1-14(2)5-4-10-23-12-17-16(18-6-8-20(17,13-23)26-18)11-22-19(25)7-9-21-15(3)24/h5,16-18H,4,6-13H2,1-3H3,(H,21,24)(H,22,25)/t16-,17+,18+,20+/m0/s1.
What are the key properties of 3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide?
3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide has a molecular weight of 363.50 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide is sourced from PubChem (CID 154816301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).