N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C12H11N5O2 — CID 40769610

IUPACN-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESC#CCNC(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H11N5O2/c1-2-7-13-12(18)8-19-11-5-3-10(4-6-11)17-9-14-15-16-17/h1,3-6,9H,7-8H2,(H,13,18)
InChIKeyMUWYSRLNASPMEB-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.21
Rot. Bonds5

About N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 40769610) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID40769610
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC NameN-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESC#CCNC(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H11N5O2/c1-2-7-13-12(18)8-19-11-5-3-10(4-6-11)17-9-14-15-16-17/h1,3-6,9H,7-8H2,(H,13,18)
InChIKeyMUWYSRLNASPMEB-UHFFFAOYSA-N
XLogP-0.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
tert-butyl N-[4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 67163217
N-[(1-propylimidazol-2-yl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 122567228
2-(4-bromophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 17011484
4-[2-oxo-2-(prop-2-ynylamino)ethoxy]benzoic acid
CID 24710947
N-(4-propan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709032
N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709053
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
CID 1259832
N-(2,3-dichlorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1135809
N-[(1S)-1-(4-phenylphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 41048048
2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55500018
2-[4-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78930659

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 40769610) is N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide is C#CCNC(=O)COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is MUWYSRLNASPMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-2-7-13-12(18)8-19-11-5-3-10(4-6-11)17-9-14-15-16-17/h1,3-6,9H,7-8H2,(H,13,18).
What are the key properties of N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 257.25 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 40769610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).