N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide

C12H21N5O2 — CID 65123925

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESCCC1CCC(O)(CNC(=O)Cn2cnnn2)CC1
InChIInChI=1S/C12H21N5O2/c1-2-10-3-5-12(19,6-4-10)8-13-11(18)7-17-9-14-15-16-17/h9-10,19H,2-8H2,1H3,(H,13,18)
InChIKeySTUYPVWKCUSYKG-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.12
Rot. Bonds5

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 65123925) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID65123925
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESCCC1CCC(O)(CNC(=O)Cn2cnnn2)CC1
InChIInChI=1S/C12H21N5O2/c1-2-10-3-5-12(19,6-4-10)8-13-11(18)7-17-9-14-15-16-17/h9-10,19H,2-8H2,1H3,(H,13,18)
InChIKeySTUYPVWKCUSYKG-UHFFFAOYSA-N
XLogP0.12
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-4-oxobutanoic acid
CID 65117218
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
CID 65118910
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 65119958
2-cyclopent-2-en-1-yl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121375
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722817
N-[4-(methylamino)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 79111193
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627683
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121812
N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 146132083

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide (CID 65123925) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide is CCC1CCC(O)(CNC(=O)Cn2cnnn2)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is STUYPVWKCUSYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-2-10-3-5-12(19,6-4-10)8-13-11(18)7-17-9-14-15-16-17/h9-10,19H,2-8H2,1H3,(H,13,18).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 65123925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).