ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate

C26H32N6O6 — CID 3174888

About ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate

ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate (PubChem CID 3174888) has the molecular formula C26H32N6O6 and a molecular weight of 524.58 g/mol. Its IUPAC name is ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate
• PubChem CID: 3174888
• Molecular Formula: C26H32N6O6
• Molecular Weight: 524.58 g/mol
• Exact Mass: 524.24
• IUPAC Name: ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate
• SMILES: CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)C(C(=O)NC1CCCCC1)c1ccco1
• InChI: InChI=1S/C26H32N6O6/c1-3-37-23(34)17-31(24(21-10-7-15-38-21)26(35)27-19-8-5-4-6-9-19)22(33)16-32-29-25(28-30-32)18-11-13-20(36-2)14-12-18/h7,10-15,19,24H,3-6,8-9,16-17H2,1-2H3,(H,27,35)
• InChIKey: PFZQXJXTNLFBAJ-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 141.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.58
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate?

The IUPAC name of ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate (CID 3174888) is ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate.

What is the SMILES notation for ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate?

The canonical SMILES for ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate is CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)C(C(=O)NC1CCCCC1)c1ccco1.

What is the InChIKey of ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate?

The InChIKey is PFZQXJXTNLFBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O6/c1-3-37-23(34)17-31(24(21-10-7-15-38-21)26(35)27-19-8-5-4-6-9-19)22(33)16-32-29-25(28-30-32)18-11-13-20(36-2)14-12-18/h7,10-15,19,24H,3-6,8-9,16-17H2,1-2H3,(H,27,35).

What are the key properties of ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate?

ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate has a molecular weight of 524.58 g/mol, XLogP of 2.52, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate is sourced from PubChem (CID 3174888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).