N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide

C23H32FN7O3 — CID 648891

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN(CCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1
InChIInChI=1S/C23H32FN7O3/c24-19-8-6-18(7-9-19)23-26-28-31(27-23)17-22(33)30(11-10-29-12-14-34-15-13-29)16-21(32)25-20-4-2-1-3-5-20/h6-9,20H,1-5,10-17H2,(H,25,32)
InChIKeyTVUQEFPJFGSXJE-UHFFFAOYSA-N
MW473.55 g/mol
LogP1.09
Rot. Bonds9

About N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide

N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 648891) has the molecular formula C23H32FN7O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID648891
Molecular FormulaC23H32FN7O3
Molecular Weight473.55 g/mol
Exact Mass473.26
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN(CCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1
InChIInChI=1S/C23H32FN7O3/c24-19-8-6-18(7-9-19)23-26-28-31(27-23)17-22(33)30(11-10-29-12-14-34-15-13-29)16-21(32)25-20-4-2-1-3-5-20/h6-9,20H,1-5,10-17H2,(H,25,32)
InChIKeyTVUQEFPJFGSXJE-UHFFFAOYSA-N
XLogP1.09
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 648891) is N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is O=C(CN(CCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is TVUQEFPJFGSXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN7O3/c24-19-8-6-18(7-9-19)23-26-28-31(27-23)17-22(33)30(11-10-29-12-14-34-15-13-29)16-21(32)25-20-4-2-1-3-5-20/h6-9,20H,1-5,10-17H2,(H,25,32).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 473.55 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 648891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).