2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide

C23H21N5O2 — CID 91945914

IUPAC2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide
SMILESCn1nnnc1COc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21N5O2/c1-28-22(25-26-27-28)16-30-21-13-7-17(8-14-21)15-23(29)24-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,29)
InChIKeyOKALTHJLUNHDDR-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.64
Rot. Bonds7

About 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide

2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide (PubChem CID 91945914) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide
PubChem CID91945914
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide
SMILESCn1nnnc1COc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21N5O2/c1-28-22(25-26-27-28)16-30-21-13-7-17(8-14-21)15-23(29)24-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,29)
InChIKeyOKALTHJLUNHDDR-UHFFFAOYSA-N
XLogP3.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-phenylacetamide
CID 91945840
N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500369
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831
N-(4-hydroxyphenyl)-2-(4-phenylphenyl)acetamide
CID 71422853
1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 91945606
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97465054
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978946
[4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid
CID 127028475
2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55767360
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
2-phenyl-N-[4-(sulfanylmethoxy)phenyl]acetamide
CID 139879435

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide (CID 91945914) is 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide is Cn1nnnc1COc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide?
The InChIKey is OKALTHJLUNHDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-28-22(25-26-27-28)16-30-21-13-7-17(8-14-21)15-23(29)24-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,29).
What are the key properties of 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide?
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 91945914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).