N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide

C14H24N2O3 — CID 104956817

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H24N2O3/c17-12-7-4-3-6-11(12)15-13(18)10-16-9-5-1-2-8-14(16)19/h11-12,17H,1-10H2,(H,15,18)/t11-,12-/m0/s1
InChIKeyDKGZCPYBGSDAJC-RYUDHWBXSA-N
MW268.36 g/mol
LogP0.81
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 104956817) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID104956817
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H24N2O3/c17-12-7-4-3-6-11(12)15-13(18)10-16-9-5-1-2-8-14(16)19/h11-12,17H,1-10H2,(H,15,18)/t11-,12-/m0/s1
InChIKeyDKGZCPYBGSDAJC-RYUDHWBXSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
CID 119602522
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 93451570
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 96529679
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869
N-[(2-hydroxycyclopentyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111471342
2-(2-oxopiperidin-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78864876
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 156603357
N-cyclopropyl-2-oxo-2-[2-[2-(2-oxoazocan-1-yl)acetyl]hydrazinyl]acetamide
CID 55756771

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide (CID 104956817) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide is O=C(CN1CCCCCC1=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is DKGZCPYBGSDAJC-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-12-7-4-3-6-11(12)15-13(18)10-16-9-5-1-2-8-14(16)19/h11-12,17H,1-10H2,(H,15,18)/t11-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 104956817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).