(3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide

C23H25F7N2O2 — CID 134491198

IUPAC(3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
SMILESCC(=O)NC1CC(NC(=O)[C@@H]2CC[C@H]3c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1
InChIInChI=1S/C23H25F7N2O2/c1-11(33)31-14-9-15(10-14)32-20(34)19-7-6-17-16-5-3-13(8-12(16)2-4-18(17)19)21(24,22(25,26)27)23(28,29)30/h3,5,8,14-15,17-19H,2,4,6-7,9-10H2,1H3,(H,31,33)(H,32,34)/t14?,15?,17-,18+,19+/m0/s1
InChIKeyWKQAYABUHGGVPF-IOPJTDPYSA-N
MW494.45 g/mol
LogP4.82
Rot. Bonds4

About (3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide

(3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide (PubChem CID 134491198) has the molecular formula C23H25F7N2O2 and a molecular weight of 494.45 g/mol. Its IUPAC name is (3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide.

Molecular Properties

Compound Name(3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
PubChem CID134491198
Molecular FormulaC23H25F7N2O2
Molecular Weight494.45 g/mol
Exact Mass494.18
IUPAC Name(3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
SMILESCC(=O)NC1CC(NC(=O)[C@@H]2CC[C@H]3c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1
InChIInChI=1S/C23H25F7N2O2/c1-11(33)31-14-9-15(10-14)32-20(34)19-7-6-17-16-5-3-13(8-12(16)2-4-18(17)19)21(24,22(25,26)27)23(28,29)30/h3,5,8,14-15,17-19H,2,4,6-7,9-10H2,1H3,(H,31,33)(H,32,34)/t14?,15?,17-,18+,19+/m0/s1
InChIKeyWKQAYABUHGGVPF-IOPJTDPYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide 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 (3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
The IUPAC name of (3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide (CID 134491198) is (3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide.
What is the SMILES notation for (3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
The canonical SMILES for (3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide is CC(=O)NC1CC(NC(=O)[C@@H]2CC[C@H]3c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1.
What is the InChIKey of (3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
The InChIKey is WKQAYABUHGGVPF-IOPJTDPYSA-N. The full InChI is InChI=1S/C23H25F7N2O2/c1-11(33)31-14-9-15(10-14)32-20(34)19-7-6-17-16-5-3-13(8-12(16)2-4-18(17)19)21(24,22(25,26)27)23(28,29)30/h3,5,8,14-15,17-19H,2,4,6-7,9-10H2,1H3,(H,31,33)(H,32,34)/t14?,15?,17-,18+,19+/m0/s1.
What are the key properties of (3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
(3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide has a molecular weight of 494.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide is sourced from PubChem (CID 134491198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).