N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide

C25H32N6O6 — CID 3180289

IUPACN-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC
InChIInChI=1S/C25H32N6O6/c1-16-8-10-20(37-16)24-27-29-31(28-24)15-22(33)30(12-13-32)23(25(34)26-18-6-4-5-7-18)17-9-11-19(35-2)21(14-17)36-3/h8-11,14,18,23,32H,4-7,12-13,15H2,1-3H3,(H,26,34)
InChIKeyYJRIMYYOACGGAN-UHFFFAOYSA-N
MW512.57 g/mol
LogP1.88
Rot. Bonds11

About N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide

N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide (PubChem CID 3180289) has the molecular formula C25H32N6O6 and a molecular weight of 512.57 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
PubChem CID3180289
Molecular FormulaC25H32N6O6
Molecular Weight512.57 g/mol
Exact Mass512.24
IUPAC NameN-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC
InChIInChI=1S/C25H32N6O6/c1-16-8-10-20(37-16)24-27-29-31(28-24)15-22(33)30(12-13-32)23(25(34)26-18-6-4-5-7-18)17-9-11-19(35-2)21(14-17)36-3/h8-11,14,18,23,32H,4-7,12-13,15H2,1-3H3,(H,26,34)
InChIKeyYJRIMYYOACGGAN-UHFFFAOYSA-N
XLogP1.88
TPSA144.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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
2-[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]-N-(2-furylmethyl)acetamide
CID 715379
N-Cyclopentyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 3174716
N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide
CID 3174745
N-Cyclohexyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 3174854
2-(4-Fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3175006
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 3179731
N-Cyclopentyl-2-((3-hydroxy-propyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-(4-methoxy-phenyl)-acetamide
CID 3180241
N-cyclopentyl-2-(4-methoxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide
CID 3180246
N-Cyclopentyl-2-((2-hydroxy-ethyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-(4-hydroxy-3-methoxy-phenyl)-acetamide
CID 3180271
N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide
CID 3174622
2-[{2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-(3-ethoxy-propyl)-amino]-2-(4-fluoro-phenyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3174996

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
The IUPAC name of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide (CID 3180289) is N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide is COc1ccc(C(C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
The InChIKey is YJRIMYYOACGGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O6/c1-16-8-10-20(37-16)24-27-29-31(28-24)15-22(33)30(12-13-32)23(25(34)26-18-6-4-5-7-18)17-9-11-19(35-2)21(14-17)36-3/h8-11,14,18,23,32H,4-7,12-13,15H2,1-3H3,(H,26,34).
What are the key properties of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide has a molecular weight of 512.57 g/mol, XLogP of 1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 3180289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).