N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide

C29H38N4O3 — CID 87379321

IUPACN-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide
SMILESCCC(=O)CCCCCC(C(=O)NCCN1CCOCC1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C29H38N4O3/c1-2-25(34)10-4-3-5-11-26(29(35)30-14-15-33-16-18-36-19-17-33)28-31-21-27(32-28)24-13-12-22-8-6-7-9-23(22)20-24/h6-9,12-13,20-21,26H,2-5,10-11,14-19H2,1H3,(H,30,35)(H,31,32)
InChIKeyGRWXOBPGWOXLJM-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.69
Rot. Bonds13

About N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide

N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide (PubChem CID 87379321) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide
PubChem CID87379321
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide
SMILESCCC(=O)CCCCCC(C(=O)NCCN1CCOCC1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C29H38N4O3/c1-2-25(34)10-4-3-5-11-26(29(35)30-14-15-33-16-18-36-19-17-33)28-31-21-27(32-28)24-13-12-22-8-6-7-9-23(22)20-24/h6-9,12-13,20-21,26H,2-5,10-11,14-19H2,1H3,(H,30,35)(H,31,32)
InChIKeyGRWXOBPGWOXLJM-UHFFFAOYSA-N
XLogP4.69
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide (CID 87379321) is N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide is CCC(=O)CCCCCC(C(=O)NCCN1CCOCC1)c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide?
The InChIKey is GRWXOBPGWOXLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-2-25(34)10-4-3-5-11-26(29(35)30-14-15-33-16-18-36-19-17-33)28-31-21-27(32-28)24-13-12-22-8-6-7-9-23(22)20-24/h6-9,12-13,20-21,26H,2-5,10-11,14-19H2,1H3,(H,30,35)(H,31,32).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide?
N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide has a molecular weight of 490.65 g/mol, XLogP of 4.69, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide is sourced from PubChem (CID 87379321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).