N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide

C25H31FN6O3 — CID 3180044

IUPACN-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide
SMILESCCCCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H31FN6O3/c1-2-3-10-22(25(34)27-20-7-4-5-8-20)31(16-21-9-6-15-35-21)23(33)17-32-29-24(28-30-32)18-11-13-19(26)14-12-18/h6,9,11-15,20,22H,2-5,7-8,10,16-17H2,1H3,(H,27,34)
InChIKeyTVQWXWMWSQHPBI-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.72
Rot. Bonds11

About N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide

N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide (PubChem CID 3180044) has the molecular formula C25H31FN6O3 and a molecular weight of 482.56 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide
PubChem CID3180044
Molecular FormulaC25H31FN6O3
Molecular Weight482.56 g/mol
Exact Mass482.24
IUPAC NameN-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide
SMILESCCCCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H31FN6O3/c1-2-3-10-22(25(34)27-20-7-4-5-8-20)31(16-21-9-6-15-35-21)23(33)17-32-29-24(28-30-32)18-11-13-19(26)14-12-18/h6,9,11-15,20,22H,2-5,7-8,10,16-17H2,1H3,(H,27,34)
InChIKeyTVQWXWMWSQHPBI-UHFFFAOYSA-N
XLogP3.72
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide?
The IUPAC name of N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide (CID 3180044) is N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide is CCCCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide?
The InChIKey is TVQWXWMWSQHPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O3/c1-2-3-10-22(25(34)27-20-7-4-5-8-20)31(16-21-9-6-15-35-21)23(33)17-32-29-24(28-30-32)18-11-13-19(26)14-12-18/h6,9,11-15,20,22H,2-5,7-8,10,16-17H2,1H3,(H,27,34).
What are the key properties of N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide?
N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide has a molecular weight of 482.56 g/mol, XLogP of 3.72, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide is sourced from PubChem (CID 3180044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).