N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide

C23H25FN6O3 — CID 3179793

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H25FN6O3/c1-33-20-12-10-19(11-13-20)29(14-21(31)25-18-4-2-3-5-18)22(32)15-30-27-23(26-28-30)16-6-8-17(24)9-7-16/h6-13,18H,2-5,14-15H2,1H3,(H,25,31)
InChIKeyREWRVISNYLPWFJ-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.58
Rot. Bonds8

About N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 3179793) has the molecular formula C23H25FN6O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID3179793
Molecular FormulaC23H25FN6O3
Molecular Weight452.49 g/mol
Exact Mass452.20
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H25FN6O3/c1-33-20-12-10-19(11-13-20)29(14-21(31)25-18-4-2-3-5-18)22(32)15-30-27-23(26-28-30)16-6-8-17(24)9-7-16/h6-13,18H,2-5,14-15H2,1H3,(H,25,31)
InChIKeyREWRVISNYLPWFJ-UHFFFAOYSA-N
XLogP2.58
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide (CID 3179793) is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is REWRVISNYLPWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O3/c1-33-20-12-10-19(11-13-20)29(14-21(31)25-18-4-2-3-5-18)22(32)15-30-27-23(26-28-30)16-6-8-17(24)9-7-16/h6-13,18H,2-5,14-15H2,1H3,(H,25,31).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 452.49 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3179793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).