2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide

C23H34FN7O3 — CID 648709

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC(C)CCNC(=O)CN(CCCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H34FN7O3/c1-18(2)8-9-25-21(32)16-30(11-3-10-29-12-14-34-15-13-29)22(33)17-31-27-23(26-28-31)19-4-6-20(24)7-5-19/h4-7,18H,3,8-17H2,1-2H3,(H,25,32)
InChIKeyZDNCTUQHGJQAFO-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.19
Rot. Bonds12

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 648709) has the molecular formula C23H34FN7O3 and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID648709
Molecular FormulaC23H34FN7O3
Molecular Weight475.57 g/mol
Exact Mass475.27
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC(C)CCNC(=O)CN(CCCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H34FN7O3/c1-18(2)8-9-25-21(32)16-30(11-3-10-29-12-14-34-15-13-29)22(33)17-31-27-23(26-28-31)19-4-6-20(24)7-5-19/h4-7,18H,3,8-17H2,1-2H3,(H,25,32)
InChIKeyZDNCTUQHGJQAFO-UHFFFAOYSA-N
XLogP1.19
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 648709) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide is CC(C)CCNC(=O)CN(CCCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is ZDNCTUQHGJQAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN7O3/c1-18(2)8-9-25-21(32)16-30(11-3-10-29-12-14-34-15-13-29)22(33)17-31-27-23(26-28-31)19-4-6-20(24)7-5-19/h4-7,18H,3,8-17H2,1-2H3,(H,25,32).
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 475.57 g/mol, XLogP of 1.19, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 648709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).