N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide

C18H23N5O2 — CID 18524845

IUPACN-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
SMILESC=CCOc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N5O2/c1-2-12-25-16-10-8-14(9-11-16)18-20-22-23(21-18)13-17(24)19-15-6-4-3-5-7-15/h2,8-11,15H,1,3-7,12-13H2,(H,19,24)
InChIKeyICIHPSAUFQOLKM-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.35
Rot. Bonds7

About N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide

N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 18524845) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID18524845
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
SMILESC=CCOc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N5O2/c1-2-12-25-16-10-8-14(9-11-16)18-20-22-23(21-18)13-17(24)19-15-6-4-3-5-7-15/h2,8-11,15H,1,3-7,12-13H2,(H,19,24)
InChIKeyICIHPSAUFQOLKM-UHFFFAOYSA-N
XLogP2.35
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetamide
CID 1136538
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone
CID 16765364
N-cyclohexyl-2-[5-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]tetrazol-2-yl]acetamide
CID 7411277
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492
(E)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide
CID 9468250
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 656377
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 3179691
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8825492
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3180571
N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 3192836

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide (CID 18524845) is N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide is C=CCOc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is ICIHPSAUFQOLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-12-25-16-10-8-14(9-11-16)18-20-22-23(21-18)13-17(24)19-15-6-4-3-5-7-15/h2,8-11,15H,1,3-7,12-13H2,(H,19,24).
What are the key properties of N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide?
N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 18524845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).