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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Related Compounds

2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
2-Fluoro-N-[2-(2-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-benzamide
CID 648374
Furan-2-carboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 649082
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-phenethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 649663
N-tert-Butyl-2-((2-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 649792
N-tert-Butyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 651396
N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]pentanamide
CID 651725
N-tert-Butyl-2-((3-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 653521
N-(Benzylcarbamoyl-methyl)-N-furan-2-ylmethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 653806
2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]-N-(2-furylmethyl)acetamide
CID 863227
N-[4-(2-{[(furan-2-ylmethyl)carbamoyl]methyl}-1,2,3,4-tetrazol-5-yl)phenyl]-3-methylbutanamide
CID 1440069

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).