1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one

C17H32N2O5 — CID 126834324

IUPAC1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
SMILESCOCCN(CCOC)C1CN(C(=O)C(C)OCC2CCCO2)C1
InChIInChI=1S/C17H32N2O5/c1-14(24-13-16-5-4-8-23-16)17(20)19-11-15(12-19)18(6-9-21-2)7-10-22-3/h14-16H,4-13H2,1-3H3
InChIKeyQYBBLMFCWGTDAX-UHFFFAOYSA-N
MW344.45 g/mol
LogP0.38
Rot. Bonds11

About 1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one

1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one (PubChem CID 126834324) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one.

Molecular Properties

Compound Name1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
PubChem CID126834324
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Name1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
SMILESCOCCN(CCOC)C1CN(C(=O)C(C)OCC2CCCO2)C1
InChIInChI=1S/C17H32N2O5/c1-14(24-13-16-5-4-8-23-16)17(20)19-11-15(12-19)18(6-9-21-2)7-10-22-3/h14-16H,4-13H2,1-3H3
InChIKeyQYBBLMFCWGTDAX-UHFFFAOYSA-N
XLogP0.38
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 119411763
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
CID 129466161
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
CID 119381744
(2R)-1-[(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-(2-methoxyethoxy)propan-1-one
CID 124730673
3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 119257371
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
CID 100899754
(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 129470132
2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119203382
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one
CID 120746267
(2S)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 98772177

Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one?
The IUPAC name of 1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one (CID 126834324) is 1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one.
What is the SMILES notation for 1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one?
The canonical SMILES for 1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one is COCCN(CCOC)C1CN(C(=O)C(C)OCC2CCCO2)C1.
What is the InChIKey of 1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one?
The InChIKey is QYBBLMFCWGTDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-14(24-13-16-5-4-8-23-16)17(20)19-11-15(12-19)18(6-9-21-2)7-10-22-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one?
1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one has a molecular weight of 344.45 g/mol, XLogP of 0.38, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one is sourced from PubChem (CID 126834324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).