N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide

C20H22N6O2 — CID 24816766

IUPACN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C20H22N6O2/c1-3-11-25(13-19(27)22-18-10-5-4-7-15(18)2)20(28)16-8-6-9-17(12-16)26-14-21-23-24-26/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,27)
InChIKeyOQRVIHVPXJDFOR-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide

N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide (PubChem CID 24816766) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide
PubChem CID24816766
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C20H22N6O2/c1-3-11-25(13-19(27)22-18-10-5-4-7-15(18)2)20(28)16-8-6-9-17(12-16)26-14-21-23-24-26/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,27)
InChIKeyOQRVIHVPXJDFOR-UHFFFAOYSA-N
XLogP2.46
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide (CID 24816766) is N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide?
The InChIKey is OQRVIHVPXJDFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-3-11-25(13-19(27)22-18-10-5-4-7-15(18)2)20(28)16-8-6-9-17(12-16)26-14-21-23-24-26/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,27).
What are the key properties of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide?
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide has a molecular weight of 378.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 24816766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).