N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide

C20H23N5O3 — CID 50958972

IUPACN-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide
SMILESCCN(CCOc1cccc(OC)c1)C(=O)c1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C20H23N5O3/c1-4-25(12-13-28-18-7-5-6-17(14-18)27-3)20(26)16-10-8-15(9-11-16)19-21-23-24(2)22-19/h5-11,14H,4,12-13H2,1-3H3
InChIKeyNEGILIYIWYPRIB-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.43
Rot. Bonds8

About N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide

N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide (PubChem CID 50958972) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide
PubChem CID50958972
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide
SMILESCCN(CCOc1cccc(OC)c1)C(=O)c1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C20H23N5O3/c1-4-25(12-13-28-18-7-5-6-17(14-18)27-3)20(26)16-10-8-15(9-11-16)19-21-23-24(2)22-19/h5-11,14H,4,12-13H2,1-3H3
InChIKeyNEGILIYIWYPRIB-UHFFFAOYSA-N
XLogP2.43
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide (CID 50958972) is N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide is CCN(CCOc1cccc(OC)c1)C(=O)c1ccc(-c2nnn(C)n2)cc1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is NEGILIYIWYPRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-4-25(12-13-28-18-7-5-6-17(14-18)27-3)20(26)16-10-8-15(9-11-16)19-21-23-24(2)22-19/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide?
N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 381.44 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 50958972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).