N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide

C21H24N6O3 — CID 2999768

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(-n3cnnn3)cc2)N2CCOCC2)cc1
InChIInChI=1S/C21H24N6O3/c1-29-19-8-4-16(5-9-19)20(26-10-12-30-13-11-26)14-22-21(28)17-2-6-18(7-3-17)27-15-23-24-25-27/h2-9,15,20H,10-14H2,1H3,(H,22,28)
InChIKeyRZTMTAUKKLGZRZ-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.47
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 2999768) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID2999768
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(-n3cnnn3)cc2)N2CCOCC2)cc1
InChIInChI=1S/C21H24N6O3/c1-29-19-8-4-16(5-9-19)20(26-10-12-30-13-11-26)14-22-21(28)17-2-6-18(7-3-17)27-15-23-24-25-27/h2-9,15,20H,10-14H2,1H3,(H,22,28)
InChIKeyRZTMTAUKKLGZRZ-UHFFFAOYSA-N
XLogP1.47
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide (CID 2999768) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide is COc1ccc(C(CNC(=O)c2ccc(-n3cnnn3)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is RZTMTAUKKLGZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-29-19-8-4-16(5-9-19)20(26-10-12-30-13-11-26)14-22-21(28)17-2-6-18(7-3-17)27-15-23-24-25-27/h2-9,15,20H,10-14H2,1H3,(H,22,28).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 408.46 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 2999768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).