1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one

C15H26N4O2 — CID 134220583

IUPAC1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one
SMILESCCOCCn1ccnc1CCC(=O)N1CC(N(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-4-21-10-9-18-8-7-16-14(18)5-6-15(20)19-11-13(12-19)17(2)3/h7-8,13H,4-6,9-12H2,1-3H3
InChIKeyNBIMHOSNVAAMKX-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.62
Rot. Bonds8

About 1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one

1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one (PubChem CID 134220583) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one
PubChem CID134220583
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one
SMILESCCOCCn1ccnc1CCC(=O)N1CC(N(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-4-21-10-9-18-8-7-16-14(18)5-6-15(20)19-11-13(12-19)17(2)3/h7-8,13H,4-6,9-12H2,1-3H3
InChIKeyNBIMHOSNVAAMKX-UHFFFAOYSA-N
XLogP0.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one
CID 134220611
1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one
CID 122582722
3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid
CID 121452441
3-[2-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid;hydrochloride
CID 121452438
1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one
CID 122582733
2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
CID 121452454
butyl 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
CID 121452464
3-[1-(2-chloroethyl)imidazol-2-yl]-1-[3-(methylamino)azetidin-1-yl]propan-1-one
CID 122582739
1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride
CID 134205518
4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine
CID 57144402
3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 139544025
[2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
CID 121452432

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one?
The IUPAC name of 1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one (CID 134220583) is 1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one is CCOCCn1ccnc1CCC(=O)N1CC(N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one?
The InChIKey is NBIMHOSNVAAMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-21-10-9-18-8-7-16-14(18)5-6-15(20)19-11-13(12-19)17(2)3/h7-8,13H,4-6,9-12H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one?
1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one has a molecular weight of 294.40 g/mol, XLogP of 0.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one is sourced from PubChem (CID 134220583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).