2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide

C26H40N2O3 — CID 145480495

IUPAC2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESCC1CC2CC(C1)CC(C)(CC(=O)Nc1ccc(OCCCN3CCOCC3)cc1)C2
InChIInChI=1S/C26H40N2O3/c1-20-14-21-16-22(15-20)18-26(2,17-21)19-25(29)27-23-4-6-24(7-5-23)31-11-3-8-28-9-12-30-13-10-28/h4-7,20-22H,3,8-19H2,1-2H3,(H,27,29)
InChIKeyFZLLQEOUULWONJ-UHFFFAOYSA-N
MW428.62 g/mol
LogP4.97
Rot. Bonds8

About 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide

2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide (PubChem CID 145480495) has the molecular formula C26H40N2O3 and a molecular weight of 428.62 g/mol. Its IUPAC name is 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
PubChem CID145480495
Molecular FormulaC26H40N2O3
Molecular Weight428.62 g/mol
Exact Mass428.30
IUPAC Name2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESCC1CC2CC(C1)CC(C)(CC(=O)Nc1ccc(OCCCN3CCOCC3)cc1)C2
InChIInChI=1S/C26H40N2O3/c1-20-14-21-16-22(15-20)18-26(2,17-21)19-25(29)27-23-4-6-24(7-5-23)31-11-3-8-28-9-12-30-13-10-28/h4-7,20-22H,3,8-19H2,1-2H3,(H,27,29)
InChIKeyFZLLQEOUULWONJ-UHFFFAOYSA-N
XLogP4.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-adamantyl)-3-[4-(4-morpholin-4-ylbutoxy)phenyl]urea
CID 70692218
cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide
CID 100715258
trans-(1S,3R)-1-ethoxy-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100732921
N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-(oxetan-3-yl)acetamide
CID 167978203
2-cyclopropyl-2-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]propanamide
CID 133246232
1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
CID 25014955
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25014776
1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100664752
2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 68977864
2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
CID 44590856
(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide
CID 100700350

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide (CID 145480495) is 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide is CC1CC2CC(C1)CC(C)(CC(=O)Nc1ccc(OCCCN3CCOCC3)cc1)C2.
What is the InChIKey of 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The InChIKey is FZLLQEOUULWONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O3/c1-20-14-21-16-22(15-20)18-26(2,17-21)19-25(29)27-23-4-6-24(7-5-23)31-11-3-8-28-9-12-30-13-10-28/h4-7,20-22H,3,8-19H2,1-2H3,(H,27,29).
What are the key properties of 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide has a molecular weight of 428.62 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 145480495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).