N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide

C26H31FN6O4 — CID 3174716

IUPACN-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1
InChIInChI=1S/C26H31FN6O4/c1-17-8-13-22(37-17)25-29-31-33(30-25)16-23(34)32(15-21-7-4-14-36-21)24(18-9-11-19(27)12-10-18)26(35)28-20-5-2-3-6-20/h8-13,20-21,24H,2-7,14-16H2,1H3,(H,28,35)
InChIKeyPRHNDIIFUQLEKH-UHFFFAOYSA-N
MW510.57 g/mol
LogP3.19
Rot. Bonds9

About N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide

N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 3174716) has the molecular formula C26H31FN6O4 and a molecular weight of 510.57 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide
PubChem CID3174716
Molecular FormulaC26H31FN6O4
Molecular Weight510.57 g/mol
Exact Mass510.24
IUPAC NameN-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1
InChIInChI=1S/C26H31FN6O4/c1-17-8-13-22(37-17)25-29-31-33(30-25)16-23(34)32(15-21-7-4-14-36-21)24(18-9-11-19(27)12-10-18)26(35)28-20-5-2-3-6-20/h8-13,20-21,24H,2-7,14-16H2,1H3,(H,28,35)
InChIKeyPRHNDIIFUQLEKH-UHFFFAOYSA-N
XLogP3.19
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.57
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide (CID 3174716) is N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1.
What is the InChIKey of N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is PRHNDIIFUQLEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O4/c1-17-8-13-22(37-17)25-29-31-33(30-25)16-23(34)32(15-21-7-4-14-36-21)24(18-9-11-19(27)12-10-18)26(35)28-20-5-2-3-6-20/h8-13,20-21,24H,2-7,14-16H2,1H3,(H,28,35).
What are the key properties of N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide?
N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 510.57 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 3174716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).