N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide

C21H37N3O3 — CID 154815999

IUPACN-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC[C@H]1[C@H]2CN(CCC(=O)NC)C[C@]23CC[C@H]1O3
InChIInChI=1S/C21H37N3O3/c1-4-6-15(7-5-2)20(26)23-12-16-17-13-24(11-9-19(25)22-3)14-21(17)10-8-18(16)27-21/h15-18H,4-14H2,1-3H3,(H,22,25)(H,23,26)/t16-,17+,18+,21+/m0/s1
InChIKeyAWMDUCOCBPMUMD-XKGFGPFHSA-N
MW379.55 g/mol
LogP1.93
Rot. Bonds10

About N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide

N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide (PubChem CID 154815999) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide
PubChem CID154815999
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC NameN-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC[C@H]1[C@H]2CN(CCC(=O)NC)C[C@]23CC[C@H]1O3
InChIInChI=1S/C21H37N3O3/c1-4-6-15(7-5-2)20(26)23-12-16-17-13-24(11-9-19(25)22-3)14-21(17)10-8-18(16)27-21/h15-18H,4-14H2,1-3H3,(H,22,25)(H,23,26)/t16-,17+,18+,21+/m0/s1
InChIKeyAWMDUCOCBPMUMD-XKGFGPFHSA-N
XLogP1.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide (CID 154815999) is N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NC[C@H]1[C@H]2CN(CCC(=O)NC)C[C@]23CC[C@H]1O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide?
The InChIKey is AWMDUCOCBPMUMD-XKGFGPFHSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-4-6-15(7-5-2)20(26)23-12-16-17-13-24(11-9-19(25)22-3)14-21(17)10-8-18(16)27-21/h15-18H,4-14H2,1-3H3,(H,22,25)(H,23,26)/t16-,17+,18+,21+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide?
N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide has a molecular weight of 379.55 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[3-(methylamino)-3-oxopropyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-propylpentanamide is sourced from PubChem (CID 154815999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).