N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide

C17H23N5O2 — CID 46633897

IUPACN-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide
SMILESCC(Oc1ccc(-n2cnnn2)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C17H23N5O2/c1-13(17(23)19-14-6-4-2-3-5-7-14)24-16-10-8-15(9-11-16)22-12-18-20-21-22/h8-14H,2-7H2,1H3,(H,19,23)
InChIKeyZXHPAAJBAYXFNL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.27
Rot. Bonds5

About N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide

N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide (PubChem CID 46633897) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide
PubChem CID46633897
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide
SMILESCC(Oc1ccc(-n2cnnn2)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C17H23N5O2/c1-13(17(23)19-14-6-4-2-3-5-7-14)24-16-10-8-15(9-11-16)22-12-18-20-21-22/h8-14H,2-7H2,1H3,(H,19,23)
InChIKeyZXHPAAJBAYXFNL-UHFFFAOYSA-N
XLogP2.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 30388378
2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
CID 6485344
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
(3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide
CID 100815671
(3R)-N-cyclopropyl-1-[(2R)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide
CID 100815668
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
(2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 51593101
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2R)-1-[(2R)-2-(azepan-1-ylmethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
CID 51583692

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The IUPAC name of N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide (CID 46633897) is N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The canonical SMILES for N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide is CC(Oc1ccc(-n2cnnn2)cc1)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The InChIKey is ZXHPAAJBAYXFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13(17(23)19-14-6-4-2-3-5-7-14)24-16-10-8-15(9-11-16)22-12-18-20-21-22/h8-14H,2-7H2,1H3,(H,19,23).
What are the key properties of N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 46633897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).