N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide

C16H15N5O2 — CID 51105980

IUPACN-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15N5O2/c22-16(11-21-12-18-19-20-21)17-10-13-6-8-15(9-7-13)23-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,17,22)
InChIKeyVJAPRYLSGVIKBU-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.78
Rot. Bonds6

About N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide

N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 51105980) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID51105980
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15N5O2/c22-16(11-21-12-18-19-20-21)17-10-13-6-8-15(9-7-13)23-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,17,22)
InChIKeyVJAPRYLSGVIKBU-UHFFFAOYSA-N
XLogP1.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 134025159
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
CID 94197439
N-[(2R)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
CID 94197438
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 62883661
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
2-(cyclopropylmethylamino)-N-[(4-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119725146
N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide
CID 52712978
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide
CID 60559251
2-oxo-N-[(4-phenoxyphenyl)methyl]acetamide
CID 115166211
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide (CID 51105980) is N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is VJAPRYLSGVIKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-16(11-21-12-18-19-20-21)17-10-13-6-8-15(9-7-13)23-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,17,22).
What are the key properties of N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 51105980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).