2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide

C23H41N3O4 — CID 74578506

IUPAC2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(=O)NC1CCC2(C)CCC(C(C)C(=O)NCCN3CCOCC3)C(O)C2C1C
InChIInChI=1S/C23H41N3O4/c1-15(22(29)24-9-10-26-11-13-30-14-12-26)18-5-7-23(4)8-6-19(25-17(3)27)16(2)20(23)21(18)28/h15-16,18-21,28H,5-14H2,1-4H3,(H,24,29)(H,25,27)
InChIKeyFAQNFNKMYPMMIY-UHFFFAOYSA-N
MW423.60 g/mol
LogP1.40
Rot. Bonds6

About 2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide

2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 74578506) has the molecular formula C23H41N3O4 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID74578506
Molecular FormulaC23H41N3O4
Molecular Weight423.60 g/mol
Exact Mass423.31
IUPAC Name2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(=O)NC1CCC2(C)CCC(C(C)C(=O)NCCN3CCOCC3)C(O)C2C1C
InChIInChI=1S/C23H41N3O4/c1-15(22(29)24-9-10-26-11-13-30-14-12-26)18-5-7-23(4)8-6-19(25-17(3)27)16(2)20(23)21(18)28/h15-16,18-21,28H,5-14H2,1-4H3,(H,24,29)(H,25,27)
InChIKeyFAQNFNKMYPMMIY-UHFFFAOYSA-N
XLogP1.40
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide (CID 74578506) is 2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide is CC(=O)NC1CCC2(C)CCC(C(C)C(=O)NCCN3CCOCC3)C(O)C2C1C.
What is the InChIKey of 2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is FAQNFNKMYPMMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O4/c1-15(22(29)24-9-10-26-11-13-30-14-12-26)18-5-7-23(4)8-6-19(25-17(3)27)16(2)20(23)21(18)28/h15-16,18-21,28H,5-14H2,1-4H3,(H,24,29)(H,25,27).
What are the key properties of 2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide?
2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 423.60 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 74578506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).