2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

C13H22N6O3 — CID 125419977

IUPAC2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1nnnc1CCO
InChIInChI=1S/C13H22N6O3/c1-9-4-2-3-5-10(9)14-13(22)15-12(21)8-19-11(6-7-20)16-17-18-19/h9-10,20H,2-8H2,1H3,(H2,14,15,21,22)/t9-,10+/m0/s1
InChIKeyXSSOOOYMNXBHAE-VHSXEESVSA-N
MW310.36 g/mol
LogP-0.39
Rot. Bonds5

About 2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 125419977) has the molecular formula C13H22N6O3 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID125419977
Molecular FormulaC13H22N6O3
Molecular Weight310.36 g/mol
Exact Mass310.18
IUPAC Name2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1nnnc1CCO
InChIInChI=1S/C13H22N6O3/c1-9-4-2-3-5-10(9)14-13(22)15-12(21)8-19-11(6-7-20)16-17-18-19/h9-10,20H,2-8H2,1H3,(H2,14,15,21,22)/t9-,10+/m0/s1
InChIKeyXSSOOOYMNXBHAE-VHSXEESVSA-N
XLogP-0.39
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 126802183
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9110458
2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 100907056
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9120378
N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 42900503
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 11930479
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
N-[(2-methylcyclohexyl)carbamoyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677252
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 97221018
2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 94021052
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 11924446

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (CID 125419977) is 2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1nnnc1CCO.
What is the InChIKey of 2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is XSSOOOYMNXBHAE-VHSXEESVSA-N. The full InChI is InChI=1S/C13H22N6O3/c1-9-4-2-3-5-10(9)14-13(22)15-12(21)8-19-11(6-7-20)16-17-18-19/h9-10,20H,2-8H2,1H3,(H2,14,15,21,22)/t9-,10+/m0/s1.
What are the key properties of 2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 310.36 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 125419977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).