N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide

C22H20N6O4 — CID 1452565

IUPACN-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)NCc4ccco4)n3)cc2)cc1
InChIInChI=1S/C22H20N6O4/c1-31-18-10-6-16(7-11-18)22(30)24-17-8-4-15(5-9-17)21-25-27-28(26-21)14-20(29)23-13-19-3-2-12-32-19/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30)
InChIKeyKCJNLJFDCFPJPI-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.51
Rot. Bonds8

About N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide

N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide (PubChem CID 1452565) has the molecular formula C22H20N6O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide
PubChem CID1452565
Molecular FormulaC22H20N6O4
Molecular Weight432.44 g/mol
Exact Mass432.15
IUPAC NameN-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)NCc4ccco4)n3)cc2)cc1
InChIInChI=1S/C22H20N6O4/c1-31-18-10-6-16(7-11-18)22(30)24-17-8-4-15(5-9-17)21-25-27-28(26-21)14-20(29)23-13-19-3-2-12-32-19/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30)
InChIKeyKCJNLJFDCFPJPI-UHFFFAOYSA-N
XLogP2.51
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide (CID 1452565) is N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)NCc4ccco4)n3)cc2)cc1.
What is the InChIKey of N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The InChIKey is KCJNLJFDCFPJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4/c1-31-18-10-6-16(7-11-18)22(30)24-17-8-4-15(5-9-17)21-25-27-28(26-21)14-20(29)23-13-19-3-2-12-32-19/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30).
What are the key properties of N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide has a molecular weight of 432.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 1452565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).