2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C27H30N6O6 — CID 3175037

IUPAC2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NCC2CCCO2)c2ccco2)cc1
InChIInChI=1S/C27H30N6O6/c1-18-7-12-23(39-18)26-29-31-33(30-26)17-24(34)32(16-19-8-10-20(36-2)11-9-19)25(22-6-4-14-38-22)27(35)28-15-21-5-3-13-37-21/h4,6-12,14,21,25H,3,5,13,15-17H2,1-2H3,(H,28,35)
InChIKeyNDOUIQQYMGEAJA-UHFFFAOYSA-N
MW534.57 g/mol
LogP2.91
Rot. Bonds11

About 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3175037) has the molecular formula C27H30N6O6 and a molecular weight of 534.57 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3175037
Molecular FormulaC27H30N6O6
Molecular Weight534.57 g/mol
Exact Mass534.22
IUPAC Name2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NCC2CCCO2)c2ccco2)cc1
InChIInChI=1S/C27H30N6O6/c1-18-7-12-23(39-18)26-29-31-33(30-26)17-24(34)32(16-19-8-10-20(36-2)11-9-19)25(22-6-4-14-38-22)27(35)28-15-21-5-3-13-37-21/h4,6-12,14,21,25H,3,5,13,15-17H2,1-2H3,(H,28,35)
InChIKeyNDOUIQQYMGEAJA-UHFFFAOYSA-N
XLogP2.91
TPSA137.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.57
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 3175037) is 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NCC2CCCO2)c2ccco2)cc1.
What is the InChIKey of 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is NDOUIQQYMGEAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O6/c1-18-7-12-23(39-18)26-29-31-33(30-26)17-24(34)32(16-19-8-10-20(36-2)11-9-19)25(22-6-4-14-38-22)27(35)28-15-21-5-3-13-37-21/h4,6-12,14,21,25H,3,5,13,15-17H2,1-2H3,(H,28,35).
What are the key properties of 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 534.57 g/mol, XLogP of 2.91, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3175037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).