2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide

C24H23N5O2 — CID 1465884

IUPAC2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCOc1ccc(-c2ccc(-c3nnn(CC(=O)N[C@H](C)c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C24H23N5O2/c1-17(18-6-4-3-5-7-18)25-23(30)16-29-27-24(26-28-29)21-10-8-19(9-11-21)20-12-14-22(31-2)15-13-20/h3-15,17H,16H2,1-2H3,(H,25,30)/t17-/m1/s1
InChIKeyQVNPXSYUDAAFAX-QGZVFWFLSA-N
MW413.48 g/mol
LogP3.89
Rot. Bonds7

About 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 1465884) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID1465884
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCOc1ccc(-c2ccc(-c3nnn(CC(=O)N[C@H](C)c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C24H23N5O2/c1-17(18-6-4-3-5-7-18)25-23(30)16-29-27-24(26-28-29)21-10-8-19(9-11-21)20-12-14-22(31-2)15-13-20/h3-15,17H,16H2,1-2H3,(H,25,30)/t17-/m1/s1
InChIKeyQVNPXSYUDAAFAX-QGZVFWFLSA-N
XLogP3.89
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8588061
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634209
N-[1-(4-bromophenyl)ethyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 46698092
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 51883487
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7490847
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 78866090
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490280
2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 24594294
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 1465884) is 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide is COc1ccc(-c2ccc(-c3nnn(CC(=O)N[C@H](C)c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is QVNPXSYUDAAFAX-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-17(18-6-4-3-5-7-18)25-23(30)16-29-27-24(26-28-29)21-10-8-19(9-11-21)20-12-14-22(31-2)15-13-20/h3-15,17H,16H2,1-2H3,(H,25,30)/t17-/m1/s1.
What are the key properties of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 413.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 1465884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).