1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one

C12H23N3O3 — CID 114952986

IUPAC1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCN1CCNC1=O)CC1(O)CCOCC1
InChIInChI=1S/C12H23N3O3/c1-14(6-7-15-5-4-13-11(15)16)10-12(17)2-8-18-9-3-12/h17H,2-10H2,1H3,(H,13,16)
InChIKeyUSUWGQJAOGHNOV-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.52
Rot. Bonds5

About 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one

1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one (PubChem CID 114952986) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one
PubChem CID114952986
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCN1CCNC1=O)CC1(O)CCOCC1
InChIInChI=1S/C12H23N3O3/c1-14(6-7-15-5-4-13-11(15)16)10-12(17)2-8-18-9-3-12/h17H,2-10H2,1H3,(H,13,16)
InChIKeyUSUWGQJAOGHNOV-UHFFFAOYSA-N
XLogP-0.52
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 114952770
1-[(3-hydroxyoxolan-3-yl)methyl]imidazolidin-2-one
CID 106103053
4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol
CID 114952881
1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]triazole-4-carboxylic acid
CID 114950235
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
1-[2-[di(propan-2-yl)amino]ethyl]imidazolidin-2-one
CID 115370405
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one (CID 114952986) is 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one is CN(CCN1CCNC1=O)CC1(O)CCOCC1.
What is the InChIKey of 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one?
The InChIKey is USUWGQJAOGHNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-14(6-7-15-5-4-13-11(15)16)10-12(17)2-8-18-9-3-12/h17H,2-10H2,1H3,(H,13,16).
What are the key properties of 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one?
1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one has a molecular weight of 257.33 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 114952986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).