2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

C18H30F3N3O2 — CID 155500779

IUPAC2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESCC(C)N(C)CC(=O)NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H30F3N3O2/c1-12(2)23(3)10-16(25)22-8-13-14-9-24(7-6-18(19,20)21)11-17(14)5-4-15(13)26-17/h12-15H,4-11H2,1-3H3,(H,22,25)/t13-,14+,15+,17+/m0/s1
InChIKeyPAZCIPORWZPZLB-KLZNWCGWSA-N
MW377.45 g/mol
LogP1.87
Rot. Bonds7

About 2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (PubChem CID 155500779) has the molecular formula C18H30F3N3O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
PubChem CID155500779
Molecular FormulaC18H30F3N3O2
Molecular Weight377.45 g/mol
Exact Mass377.23
IUPAC Name2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESCC(C)N(C)CC(=O)NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H30F3N3O2/c1-12(2)23(3)10-16(25)22-8-13-14-9-24(7-6-18(19,20)21)11-17(14)5-4-15(13)26-17/h12-15H,4-11H2,1-3H3,(H,22,25)/t13-,14+,15+,17+/m0/s1
InChIKeyPAZCIPORWZPZLB-KLZNWCGWSA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide 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 2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (CID 155500779) is 2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is CC(C)N(C)CC(=O)NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The InChIKey is PAZCIPORWZPZLB-KLZNWCGWSA-N. The full InChI is InChI=1S/C18H30F3N3O2/c1-12(2)23(3)10-16(25)22-8-13-14-9-24(7-6-18(19,20)21)11-17(14)5-4-15(13)26-17/h12-15H,4-11H2,1-3H3,(H,22,25)/t13-,14+,15+,17+/m0/s1.
What are the key properties of 2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is sourced from PubChem (CID 155500779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).