[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone

C12H22N2O3 — CID 66260265

IUPAC[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone
SMILESCCNC1COCC1C(=O)N1CCCOCC1
InChIInChI=1S/C12H22N2O3/c1-2-13-11-9-17-8-10(11)12(15)14-4-3-6-16-7-5-14/h10-11,13H,2-9H2,1H3
InChIKeyXXYQYSKFXASYFV-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.14
Rot. Bonds3

About [4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone

[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone (PubChem CID 66260265) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone
PubChem CID66260265
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone
SMILESCCNC1COCC1C(=O)N1CCCOCC1
InChIInChI=1S/C12H22N2O3/c1-2-13-11-9-17-8-10(11)12(15)14-4-3-6-16-7-5-14/h10-11,13H,2-9H2,1H3
InChIKeyXXYQYSKFXASYFV-UHFFFAOYSA-N
XLogP-0.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66259246
[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 66257568
[4-(ethylamino)oxolan-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 66260205
[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495367
3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66259879
[4-(ethylamino)oxolan-3-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835851
[4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone
CID 66258113
4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid
CID 66260257
[4-(ethylamino)oxolan-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66260210
[4-(ethylamino)oxolan-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217226
N-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]piperidine-4-carboxamide
CID 66257526
[4-(ethylamino)oxolan-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 66258499

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone (CID 66260265) is [4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone is CCNC1COCC1C(=O)N1CCCOCC1.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone?
The InChIKey is XXYQYSKFXASYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-13-11-9-17-8-10(11)12(15)14-4-3-6-16-7-5-14/h10-11,13H,2-9H2,1H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone?
[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 66260265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).