[4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

C17H24N2O2 — CID 66257574

IUPAC[4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCCNC1COCC1C(=O)N1CCCCc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-2-18-15-12-21-11-14(15)17(20)19-10-6-5-8-13-7-3-4-9-16(13)19/h3-4,7,9,14-15,18H,2,5-6,8,10-12H2,1H3
InChIKeySRLVGTRCQLFUPP-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.98
Rot. Bonds3

About [4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

[4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (PubChem CID 66257574) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
PubChem CID66257574
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCCNC1COCC1C(=O)N1CCCCc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-2-18-15-12-21-11-14(15)17(20)19-10-6-5-8-13-7-3-4-9-16(13)19/h3-4,7,9,14-15,18H,2,5-6,8,10-12H2,1H3
InChIKeySRLVGTRCQLFUPP-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-ethyloxolan-3-amine
CID 66259707
3,4-dihydro-2H-quinolin-1-yl(oxan-3-yl)methanone
CID 71879683
[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 66260265
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
(1R,6S)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 1225798
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
2,3-dimethyl-4-oxo-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanoic acid
CID 103498667

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (CID 66257574) is [4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is CCNC1COCC1C(=O)N1CCCCc2ccccc21.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The InChIKey is SRLVGTRCQLFUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-18-15-12-21-11-14(15)17(20)19-10-6-5-8-13-7-3-4-9-16(13)19/h3-4,7,9,14-15,18H,2,5-6,8,10-12H2,1H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
[4-(ethylamino)oxolan-3-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.98, 3 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]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is sourced from PubChem (CID 66257574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).