N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

C26H28N6O4 — CID 648061

IUPACN-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
SMILESCc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccco2)cc1
InChIInChI=1S/C26H28N6O4/c1-17-9-12-20(13-10-17)32(23(33)16-31-29-25(28-30-31)22-14-11-18(2)36-22)24(21-8-5-15-35-21)26(34)27-19-6-3-4-7-19/h5,8-15,19,24H,3-4,6-7,16H2,1-2H3,(H,27,34)
InChIKeyOIJLSTYELREAIK-UHFFFAOYSA-N
MW488.55 g/mol
LogP3.98
Rot. Bonds8

About N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (PubChem CID 648061) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
PubChem CID648061
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC NameN-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
SMILESCc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccco2)cc1
InChIInChI=1S/C26H28N6O4/c1-17-9-12-20(13-10-17)32(23(33)16-31-29-25(28-30-31)22-14-11-18(2)36-22)24(21-8-5-15-35-21)26(34)27-19-6-3-4-7-19/h5,8-15,19,24H,3-4,6-7,16H2,1-2H3,(H,27,34)
InChIKeyOIJLSTYELREAIK-UHFFFAOYSA-N
XLogP3.98
TPSA119.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (CID 648061) is N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccco2)cc1.
What is the InChIKey of N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?
The InChIKey is OIJLSTYELREAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-17-9-12-20(13-10-17)32(23(33)16-31-29-25(28-30-31)22-14-11-18(2)36-22)24(21-8-5-15-35-21)26(34)27-19-6-3-4-7-19/h5,8-15,19,24H,3-4,6-7,16H2,1-2H3,(H,27,34).
What are the key properties of N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?
N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide has a molecular weight of 488.55 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(furan-2-yl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is sourced from PubChem (CID 648061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).