N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide

C24H23N5O2 — CID 76643004

IUPACN-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-n3cnnn3)c2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-4-6-19(7-5-16)20-12-21(14-22(13-20)29-15-25-27-28-29)24(30)26-17(2)18-8-10-23(31-3)11-9-18/h4-15,17H,1-3H3,(H,26,30)
InChIKeyZEPNMIMLJOKDMZ-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.14
Rot. Bonds6

About N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide

N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 76643004) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID76643004
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-n3cnnn3)c2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-4-6-19(7-5-16)20-12-21(14-22(13-20)29-15-25-27-28-29)24(30)26-17(2)18-8-10-23(31-3)11-9-18/h4-15,17H,1-3H3,(H,26,30)
InChIKeyZEPNMIMLJOKDMZ-UHFFFAOYSA-N
XLogP4.14
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966
3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 122640774
N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76642992
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
3-(4-methylphenyl)-N-[(2S)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 44599894
3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709495
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide
CID 42645334
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(4-methoxyphenyl)-5-(tetrazol-1-yl)phenyl]methanone
CID 26348072
N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide
CID 143820171
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide (CID 76643004) is N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide is COc1ccc(C(C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is ZEPNMIMLJOKDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-4-6-19(7-5-16)20-12-21(14-22(13-20)29-15-25-27-28-29)24(30)26-17(2)18-8-10-23(31-3)11-9-18/h4-15,17H,1-3H3,(H,26,30).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 76643004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).