N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide

C25H32N6O5 — CID 3180241

IUPACN-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(CCCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C25H32N6O5/c1-17-8-13-21(36-17)24-27-29-31(28-24)16-22(33)30(14-5-15-32)23(18-9-11-20(35-2)12-10-18)25(34)26-19-6-3-4-7-19/h8-13,19,23,32H,3-7,14-16H2,1-2H3,(H,26,34)
InChIKeyHKGUYLHRBRFINR-UHFFFAOYSA-N
MW496.57 g/mol
LogP2.26
Rot. Bonds11

About N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide

N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide (PubChem CID 3180241) has the molecular formula C25H32N6O5 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide
PubChem CID3180241
Molecular FormulaC25H32N6O5
Molecular Weight496.57 g/mol
Exact Mass496.24
IUPAC NameN-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(CCCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C25H32N6O5/c1-17-8-13-21(36-17)24-27-29-31(28-24)16-22(33)30(14-5-15-32)23(18-9-11-20(35-2)12-10-18)25(34)26-19-6-3-4-7-19/h8-13,19,23,32H,3-7,14-16H2,1-2H3,(H,26,34)
InChIKeyHKGUYLHRBRFINR-UHFFFAOYSA-N
XLogP2.26
TPSA135.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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
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-(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-Cyclopentyl-2-((3-ethoxy-propyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-(5-methyl-furan-2-yl)-acetamide
CID 3174772
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
2-(2-furanyl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-(2-oxolanylmethyl)acetamide
CID 3175037
2-Furan-2-yl-2-(furan-2-ylmethyl-{2-[5-(4-methoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3175044
N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]butanamide
CID 3178683
2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide
CID 3179612

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide (CID 3180241) is N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide is COc1ccc(C(C(=O)NC2CCCC2)N(CCCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1.
What is the InChIKey of N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is HKGUYLHRBRFINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O5/c1-17-8-13-21(36-17)24-27-29-31(28-24)16-22(33)30(14-5-15-32)23(18-9-11-20(35-2)12-10-18)25(34)26-19-6-3-4-7-19/h8-13,19,23,32H,3-7,14-16H2,1-2H3,(H,26,34).
What are the key properties of N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide?
N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 496.57 g/mol, XLogP of 2.26, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3180241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).