N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide

C24H24N6O3 — CID 644572

IUPACN-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(CC(=O)NCc2ccccc2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)c1
InChIInChI=1S/C24H24N6O3/c1-17-7-6-10-20(13-17)29(15-22(31)25-14-19-8-4-3-5-9-19)23(32)16-30-27-24(26-28-30)21-12-11-18(2)33-21/h3-13H,14-16H2,1-2H3,(H,25,31)
InChIKeyJTGFMNKSEPCYGB-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.90
Rot. Bonds8

About N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide

N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 644572) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID644572
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(CC(=O)NCc2ccccc2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)c1
InChIInChI=1S/C24H24N6O3/c1-17-7-6-10-20(13-17)29(15-22(31)25-14-19-8-4-3-5-9-19)23(32)16-30-27-24(26-28-30)21-12-11-18(2)33-21/h3-13H,14-16H2,1-2H3,(H,25,31)
InChIKeyJTGFMNKSEPCYGB-UHFFFAOYSA-N
XLogP2.90
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide (CID 644572) is N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(N(CC(=O)NCc2ccccc2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)c1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is JTGFMNKSEPCYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-17-7-6-10-20(13-17)29(15-22(31)25-14-19-8-4-3-5-9-19)23(32)16-30-27-24(26-28-30)21-12-11-18(2)33-21/h3-13H,14-16H2,1-2H3,(H,25,31).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?
N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 444.50 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 644572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).