2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

C21H24N6O4 — CID 653044

IUPAC2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOCCCNC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)n1
InChIInChI=1S/C21H24N6O4/c1-30-13-5-12-22-19(28)14-27-25-20(24-26-27)15-8-10-16(11-9-15)23-21(29)17-6-3-4-7-18(17)31-2/h3-4,6-11H,5,12-14H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyUCJGDICUOMLMMD-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.75
Rot. Bonds10

About 2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 653044) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID653044
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOCCCNC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)n1
InChIInChI=1S/C21H24N6O4/c1-30-13-5-12-22-19(28)14-27-25-20(24-26-27)15-8-10-16(11-9-15)23-21(29)17-6-3-4-7-18(17)31-2/h3-4,6-11H,5,12-14H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyUCJGDICUOMLMMD-UHFFFAOYSA-N
XLogP1.75
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (CID 653044) is 2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is COCCCNC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)n1.
What is the InChIKey of 2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is UCJGDICUOMLMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-30-13-5-12-22-19(28)14-27-25-20(24-26-27)15-8-10-16(11-9-15)23-21(29)17-6-3-4-7-18(17)31-2/h3-4,6-11H,5,12-14H2,1-2H3,(H,22,28)(H,23,29).
What are the key properties of 2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 653044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).