2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide

C27H25N5O5 — CID 644611

IUPAC2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
SMILESCOc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1
InChIInChI=1S/C27H25N5O5/c1-18-9-14-24(37-18)26(27(34)28-16-21-6-5-15-36-21)32(19-10-12-20(35-2)13-11-19)25(33)17-31-23-8-4-3-7-22(23)29-30-31/h3-15,26H,16-17H2,1-2H3,(H,28,34)
InChIKeyMOENJKIXVUIEDM-UHFFFAOYSA-N
MW499.53 g/mol
LogP4.03
Rot. Bonds9

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 644611) has the molecular formula C27H25N5O5 and a molecular weight of 499.53 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
PubChem CID644611
Molecular FormulaC27H25N5O5
Molecular Weight499.53 g/mol
Exact Mass499.19
IUPAC Name2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
SMILESCOc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1
InChIInChI=1S/C27H25N5O5/c1-18-9-14-24(37-18)26(27(34)28-16-21-6-5-15-36-21)32(19-10-12-20(35-2)13-11-19)25(33)17-31-23-8-4-3-7-22(23)29-30-31/h3-15,26H,16-17H2,1-2H3,(H,28,34)
InChIKeyMOENJKIXVUIEDM-UHFFFAOYSA-N
XLogP4.03
TPSA115.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (CID 644611) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1.
What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is MOENJKIXVUIEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O5/c1-18-9-14-24(37-18)26(27(34)28-16-21-6-5-15-36-21)32(19-10-12-20(35-2)13-11-19)25(33)17-31-23-8-4-3-7-22(23)29-30-31/h3-15,26H,16-17H2,1-2H3,(H,28,34).
What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 499.53 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 644611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).