N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C16H21N5O2 — CID 26215976

IUPACN-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)NC1CCCCCC1
InChIInChI=1S/C16H21N5O2/c22-16(18-13-6-3-1-2-4-7-13)11-23-15-9-5-8-14(10-15)21-12-17-19-20-21/h5,8-10,12-13H,1-4,6-7,11H2,(H,18,22)
InChIKeyDKJVXGHFTIIPBB-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.88
Rot. Bonds5

About N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 26215976) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID26215976
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)NC1CCCCCC1
InChIInChI=1S/C16H21N5O2/c22-16(18-13-6-3-1-2-4-7-13)11-23-15-9-5-8-14(10-15)21-12-17-19-20-21/h5,8-10,12-13H,1-4,6-7,11H2,(H,18,22)
InChIKeyDKJVXGHFTIIPBB-UHFFFAOYSA-N
XLogP1.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769172
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 156608301
1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea
CID 47199011
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 7769219
1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 118763560
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate
CID 7768488
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 41198695

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 26215976) is N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnn2)c1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is DKJVXGHFTIIPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-16(18-13-6-3-1-2-4-7-13)11-23-15-9-5-8-14(10-15)21-12-17-19-20-21/h5,8-10,12-13H,1-4,6-7,11H2,(H,18,22).
What are the key properties of N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 26215976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).