N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C17H17N5O2 — CID 886651

IUPACN-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1C
InChIInChI=1S/C17H17N5O2/c1-12-3-4-14(9-13(12)2)19-17(23)10-24-16-7-5-15(6-8-16)22-11-18-20-21-22/h3-9,11H,10H2,1-2H3,(H,19,23)
InChIKeyAPFDDJHDJUNTBS-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.30
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 886651) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID886651
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1C
InChIInChI=1S/C17H17N5O2/c1-12-3-4-14(9-13(12)2)19-17(23)10-24-16-7-5-15(6-8-16)22-11-18-20-21-22/h3-9,11H,10H2,1-2H3,(H,19,23)
InChIKeyAPFDDJHDJUNTBS-UHFFFAOYSA-N
XLogP2.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864036
N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
(2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine
CID 122182821
N-(2-Ethoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 654404
2-phenoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 42893203
N-(4-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864037
N-(4-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 1140123
2-[4-(Tetrazol-1-yl)phenoxy]acetamide
CID 817506
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
N-(4-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 648414
ethyl 4-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}amino)benzoate
CID 1259832
N-[2-(4-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090859

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 886651) is N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is APFDDJHDJUNTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-3-4-14(9-13(12)2)19-17(23)10-24-16-7-5-15(6-8-16)22-11-18-20-21-22/h3-9,11H,10H2,1-2H3,(H,19,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 323.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 886651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).