N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide

C26H41N3O5 — CID 25339569

IUPACN-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide
SMILESCC1(C)C[C@H](NC(=O)c2ccco2)[C@@]2(CCC(=O)NCCN3CCOCC3)CC[C@](C)(O)C[C@@H]12
InChIInChI=1S/C26H41N3O5/c1-24(2)18-21(28-23(31)19-5-4-14-34-19)26(9-8-25(3,32)17-20(24)26)7-6-22(30)27-10-11-29-12-15-33-16-13-29/h4-5,14,20-21,32H,6-13,15-18H2,1-3H3,(H,27,30)(H,28,31)/t20-,21-,25-,26-/m0/s1
InChIKeyXILFXXXBDSLCQJ-KCXKOMAXSA-N
MW475.63 g/mol
LogP2.57
Rot. Bonds8

About N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide

N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide (PubChem CID 25339569) has the molecular formula C26H41N3O5 and a molecular weight of 475.63 g/mol. Its IUPAC name is N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide
PubChem CID25339569
Molecular FormulaC26H41N3O5
Molecular Weight475.63 g/mol
Exact Mass475.30
IUPAC NameN-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide
SMILESCC1(C)C[C@H](NC(=O)c2ccco2)[C@@]2(CCC(=O)NCCN3CCOCC3)CC[C@](C)(O)C[C@@H]12
InChIInChI=1S/C26H41N3O5/c1-24(2)18-21(28-23(31)19-5-4-14-34-19)26(9-8-25(3,32)17-20(24)26)7-6-22(30)27-10-11-29-12-15-33-16-13-29/h4-5,14,20-21,32H,6-13,15-18H2,1-3H3,(H,27,30)(H,28,31)/t20-,21-,25-,26-/m0/s1
InChIKeyXILFXXXBDSLCQJ-KCXKOMAXSA-N
XLogP2.57
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide?
The IUPAC name of N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide (CID 25339569) is N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide?
The canonical SMILES for N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide is CC1(C)C[C@H](NC(=O)c2ccco2)[C@@]2(CCC(=O)NCCN3CCOCC3)CC[C@](C)(O)C[C@@H]12.
What is the InChIKey of N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide?
The InChIKey is XILFXXXBDSLCQJ-KCXKOMAXSA-N. The full InChI is InChI=1S/C26H41N3O5/c1-24(2)18-21(28-23(31)19-5-4-14-34-19)26(9-8-25(3,32)17-20(24)26)7-6-22(30)27-10-11-29-12-15-33-16-13-29/h4-5,14,20-21,32H,6-13,15-18H2,1-3H3,(H,27,30)(H,28,31)/t20-,21-,25-,26-/m0/s1.
What are the key properties of N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide?
N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide has a molecular weight of 475.63 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]furan-2-carboxamide is sourced from PubChem (CID 25339569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).