2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide

C14H26N2O3 — CID 50977242

IUPAC2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)CN1CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-19-13-11-18-10-12(13)15-14(17)9-16-7-5-3-4-6-8-16/h12-13H,2-11H2,1H3,(H,15,17)/t12-,13-/m0/s1
InChIKeyLODMADLEHWTMPB-STQMWFEESA-N
MW270.37 g/mol
LogP0.78
Rot. Bonds5

About 2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide

2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide (PubChem CID 50977242) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
PubChem CID50977242
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)CN1CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-19-13-11-18-10-12(13)15-14(17)9-16-7-5-3-4-6-8-16/h12-13H,2-11H2,1H3,(H,15,17)/t12-,13-/m0/s1
InChIKeyLODMADLEHWTMPB-STQMWFEESA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3229427
1-(Azepan-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229577
N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide
CID 164640528
6-(Methylamino)-4-(oxolan-2-ylmethyl)-1,4-oxazepan-5-one
CID 22985254
2-(azepan-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1439050
2-(azepan-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1439051
2-(azepan-1-ium-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7224694
2-(azepan-1-ium-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7436722
[2-(azepan-1-yl)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7437126
1-(azepan-1-yl)-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 7437127
[2-(azepan-1-yl)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7437128
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide (CID 50977242) is 2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide is CCO[C@H]1COC[C@@H]1NC(=O)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
The InChIKey is LODMADLEHWTMPB-STQMWFEESA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-19-13-11-18-10-12(13)15-14(17)9-16-7-5-3-4-6-8-16/h12-13H,2-11H2,1H3,(H,15,17)/t12-,13-/m0/s1.
What are the key properties of 2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide has a molecular weight of 270.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide is sourced from PubChem (CID 50977242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).