N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide

C17H17N5O2 — CID 30881718

IUPACN-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H17N5O2/c1-21(10-11-24-16-8-3-2-4-9-16)17(23)14-6-5-7-15(12-14)22-13-18-19-20-22/h2-9,12-13H,10-11H2,1H3
InChIKeyLZGUUPCKTSBJEC-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.81
Rot. Bonds6

About N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide

N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 30881718) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
PubChem CID30881718
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H17N5O2/c1-21(10-11-24-16-8-3-2-4-9-16)17(23)14-6-5-7-15(12-14)22-13-18-19-20-22/h2-9,12-13H,10-11H2,1H3
InChIKeyLZGUUPCKTSBJEC-UHFFFAOYSA-N
XLogP1.81
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
N,N-dibenzyl-3-(tetrazol-1-yl)benzamide
CID 51147950
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
CID 78785165
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705756
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 39735328
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 60988731
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide (CID 30881718) is N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide is CN(CCOc1ccccc1)C(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is LZGUUPCKTSBJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-21(10-11-24-16-8-3-2-4-9-16)17(23)14-6-5-7-15(12-14)22-13-18-19-20-22/h2-9,12-13H,10-11H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide?
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 323.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 30881718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).