1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone

C17H24N2O2 — CID 110197165

IUPAC1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(N(Cc2ccccc2)C2CCOCC2)C1
InChIInChI=1S/C17H24N2O2/c1-14(20)18-12-17(13-18)19(16-7-9-21-10-8-16)11-15-5-3-2-4-6-15/h2-6,16-17H,7-13H2,1H3
InChIKeyTVOJQCSAMMDRIA-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.90
Rot. Bonds4

About 1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone

1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone (PubChem CID 110197165) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone
PubChem CID110197165
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(N(Cc2ccccc2)C2CCOCC2)C1
InChIInChI=1S/C17H24N2O2/c1-14(20)18-12-17(13-18)19(16-7-9-21-10-8-16)11-15-5-3-2-4-6-15/h2-6,16-17H,7-13H2,1H3
InChIKeyTVOJQCSAMMDRIA-UHFFFAOYSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetyl-4-benzylpiperazine
CID 756919
1-(2-Benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 3235084
2-[Benzyl(cyclopropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 53521639
N-[(3-fluorophenyl)methyl]-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
CID 53612295
N-[(4-fluorophenyl)methyl]-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
CID 53625300
N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
CID 56802282
2,2-Dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 60698388
3-ethoxy-N-methyl-N-[(2-methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methyl]propanamide
CID 70756048
2-ethyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]butanamide
CID 72015307
N-[1-(2,5-difluorobenzyl)-4-piperidyl]-N-tetrahydro-2H-pyran-4-ylpropanamide
CID 91906115
N-(Oxan-4-YL)-N-{1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-YL}propanamide
CID 91906116
N-{1-[(3,5-Difluorophenyl)methyl]piperidin-4-YL}-N-(oxan-4-YL)propanamide
CID 91906118

Frequently Asked Questions

What is the IUPAC name of 1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone (CID 110197165) is 1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone is CC(=O)N1CC(N(Cc2ccccc2)C2CCOCC2)C1.
What is the InChIKey of 1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone?
The InChIKey is TVOJQCSAMMDRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14(20)18-12-17(13-18)19(16-7-9-21-10-8-16)11-15-5-3-2-4-6-15/h2-6,16-17H,7-13H2,1H3.
What are the key properties of 1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone?
1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[benzyl(oxan-4-yl)amino]azetidin-1-yl]ethanone is sourced from PubChem (CID 110197165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).