2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide

C19H34N2O3 — CID 154816225

IUPAC2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NC[C@H]1[C@H]2CN(CCCOC)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H34N2O3/c1-4-14(5-2)18(22)20-11-15-16-12-21(9-6-10-23-3)13-19(16)8-7-17(15)24-19/h14-17H,4-13H2,1-3H3,(H,20,22)/t15-,16+,17+,19+/m0/s1
InChIKeyGQRSDEQEVJWQEP-DODZYUBVSA-N
MW338.49 g/mol
LogP2.05
Rot. Bonds9

About 2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide

2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide (PubChem CID 154816225) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
PubChem CID154816225
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NC[C@H]1[C@H]2CN(CCCOC)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H34N2O3/c1-4-14(5-2)18(22)20-11-15-16-12-21(9-6-10-23-3)13-19(16)8-7-17(15)24-19/h14-17H,4-13H2,1-3H3,(H,20,22)/t15-,16+,17+,19+/m0/s1
InChIKeyGQRSDEQEVJWQEP-DODZYUBVSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide?
The IUPAC name of 2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide (CID 154816225) is 2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide is CCC(CC)C(=O)NC[C@H]1[C@H]2CN(CCCOC)C[C@]23CC[C@H]1O3.
What is the InChIKey of 2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide?
The InChIKey is GQRSDEQEVJWQEP-DODZYUBVSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-4-14(5-2)18(22)20-11-15-16-12-21(9-6-10-23-3)13-19(16)8-7-17(15)24-19/h14-17H,4-13H2,1-3H3,(H,20,22)/t15-,16+,17+,19+/m0/s1.
What are the key properties of 2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide?
2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide has a molecular weight of 338.49 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[(1S,5S,6R,7R)-3-(3-methoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide is sourced from PubChem (CID 154816225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).