N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide

C20H23N5O2 — CID 75489199

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)cc1
InChIInChI=1S/C20H23N5O2/c1-14(2)25-23-19(22-24-25)16-6-8-17(9-7-16)20(26)21-13-12-15-4-10-18(27-3)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,21,26)
InChIKeyZCVXSYZHCHKNDS-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.90
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide

N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide (PubChem CID 75489199) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
PubChem CID75489199
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)cc1
InChIInChI=1S/C20H23N5O2/c1-14(2)25-23-19(22-24-25)16-6-8-17(9-7-16)20(26)21-13-12-15-4-10-18(27-3)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,21,26)
InChIKeyZCVXSYZHCHKNDS-UHFFFAOYSA-N
XLogP2.90
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75491978
4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide
CID 71707786
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51048872
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
N-[2-(4-methoxyphenyl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570795
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide (CID 75489199) is N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide is COc1ccc(CCNC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The InChIKey is ZCVXSYZHCHKNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(2)25-23-19(22-24-25)16-6-8-17(9-7-16)20(26)21-13-12-15-4-10-18(27-3)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,21,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide has a molecular weight of 365.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide is sourced from PubChem (CID 75489199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).