4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one

C8H16N2O2 — CID 19841698

IUPAC4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(CCO)CC1=O
InChIInChI=1S/C8H16N2O2/c1-9-3-2-4-10(5-6-11)7-8(9)12/h11H,2-7H2,1H3
InChIKeyBDWZLDOYLIHGBA-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.86
Rot. Bonds2

About 4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one

4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 19841698) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one
PubChem CID19841698
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(CCO)CC1=O
InChIInChI=1S/C8H16N2O2/c1-9-3-2-4-10(5-6-11)7-8(9)12/h11H,2-7H2,1H3
InChIKeyBDWZLDOYLIHGBA-UHFFFAOYSA-N
XLogP-0.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Hydroxyethyl)-1-propyl-1,4-diazepan-5-one
CID 24816479
4-(2-Hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 24761265
1-[4-(2-Methoxyethyl)-1,4-diazepan-1-yl]ethanone
CID 60699856
2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dipropylacetamide
CID 52484604
N,N-dimethyl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)-1,4-diazepan-1-yl]acetamide
CID 86792765
N,N-dimethyl-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,4-diazepan-1-yl]acetamide
CID 97881151
N,N-dimethyl-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,4-diazepan-1-yl]acetamide
CID 100075072
2,2-Difluoro-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 103513921
Ethanediamide, N,N'-bis(2-hydroxyethyl)-N,N'-dimethyl-
CID 5117069
Acetamide, 2,2'-[(2-hydroxyethyl)imino]bis[N,N-diethyl-
CID 11471740
2-{N-[2-Oxo-2-(perhydro-1-azepinyl]ethyl]methylamino}ethanol
CID 14499650
2-(dimethylamino)-N,N-bis(2-hydroxyethyl)acetamide
CID 14799399

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one (CID 19841698) is 4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(CCO)CC1=O.
What is the InChIKey of 4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is BDWZLDOYLIHGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-3-2-4-10(5-6-11)7-8(9)12/h11H,2-7H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one?
4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 172.23 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 19841698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).