N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

C17H23N5O2 — CID 110003521

IUPACN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(CC1CCCCC1O)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O2/c1-21(11-14-9-5-6-10-15(14)23)16(24)12-22-19-17(18-20-22)13-7-3-2-4-8-13/h2-4,7-8,14-15,23H,5-6,9-12H2,1H3
InChIKeyPHOCHBZRFZQJJL-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.35
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 110003521) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID110003521
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(CC1CCCCC1O)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O2/c1-21(11-14-9-5-6-10-15(14)23)16(24)12-22-19-17(18-20-22)13-7-3-2-4-8-13/h2-4,7-8,14-15,23H,5-6,9-12H2,1H3
InChIKeyPHOCHBZRFZQJJL-UHFFFAOYSA-N
XLogP1.35
TPSA84.14 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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide
CID 109399686
N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 46981616
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 109399985
4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119173060
N-[(4-bromophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508173
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
CID 119200437
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46974306
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 177372539
N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 26571918

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (CID 110003521) is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is CN(CC1CCCCC1O)C(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is PHOCHBZRFZQJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21(11-14-9-5-6-10-15(14)23)16(24)12-22-19-17(18-20-22)13-7-3-2-4-8-13/h2-4,7-8,14-15,23H,5-6,9-12H2,1H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 110003521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).