N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide

C17H17N5O2 — CID 31916303

IUPACN-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCc1cccc(OCCNC(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C17H17N5O2/c1-13-4-2-7-16(10-13)24-9-8-18-17(23)14-5-3-6-15(11-14)22-12-19-20-21-22/h2-7,10-12H,8-9H2,1H3,(H,18,23)
InChIKeyMGOHYLBEXLMNMC-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.78
Rot. Bonds6

About N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide

N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 31916303) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID31916303
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCc1cccc(OCCNC(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C17H17N5O2/c1-13-4-2-7-16(10-13)24-9-8-18-17(23)14-5-3-6-15(11-14)22-12-19-20-21-22/h2-7,10-12H,8-9H2,1H3,(H,18,23)
InChIKeyMGOHYLBEXLMNMC-UHFFFAOYSA-N
XLogP1.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 51222719
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
CID 42692695
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
2-(3-bromophenoxy)ethyl 3-(tetrazol-1-yl)benzoate
CID 18080462

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide (CID 31916303) is N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide is Cc1cccc(OCCNC(=O)c2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is MGOHYLBEXLMNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-13-4-2-7-16(10-13)24-9-8-18-17(23)14-5-3-6-15(11-14)22-12-19-20-21-22/h2-7,10-12H,8-9H2,1H3,(H,18,23).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 323.36 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-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 31916303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).