[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone

C16H30N2O2 — CID 66257568

IUPAC[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone
SMILESCCNC1COCC1C(=O)N1CCCC(C(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-4-17-15-11-20-10-14(15)16(19)18-8-5-6-13(7-9-18)12(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyJPCXMTRYBYADEH-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.90
Rot. Bonds4

About [4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone

[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone (PubChem CID 66257568) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone
PubChem CID66257568
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone
SMILESCCNC1COCC1C(=O)N1CCCC(C(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-4-17-15-11-20-10-14(15)16(19)18-8-5-6-13(7-9-18)12(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyJPCXMTRYBYADEH-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495367
[4-(ethylamino)oxolan-3-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835851
[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 66260265
[4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone
CID 66258113
[4-(ethylamino)oxolan-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217226
[4-(ethylamino)oxolan-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66260210
[4-(ethylamino)oxolan-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 66258499
N-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]piperidine-4-carboxamide
CID 66257526
1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66259246
3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66259879
N-[(1R)-1-cyclopentylethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 81391586
(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256881

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone (CID 66257568) is [4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone is CCNC1COCC1C(=O)N1CCCC(C(C)C)CC1.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone?
The InChIKey is JPCXMTRYBYADEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-17-15-11-20-10-14(15)16(19)18-8-5-6-13(7-9-18)12(2)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone?
[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone has a molecular weight of 282.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone is sourced from PubChem (CID 66257568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).