N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C10H21N3O2 — CID 43509649

IUPACN-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)NCCO)CC1
InChIInChI=1S/C10H21N3O2/c1-12-4-2-5-13(7-6-12)9-10(15)11-3-8-14/h14H,2-9H2,1H3,(H,11,15)
InChIKeyLZBPMFGUSRFVBR-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.27
Rot. Bonds4

About N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 43509649) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID43509649
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)NCCO)CC1
InChIInChI=1S/C10H21N3O2/c1-12-4-2-5-13(7-6-12)9-10(15)11-3-8-14/h14H,2-9H2,1H3,(H,11,15)
InChIKeyLZBPMFGUSRFVBR-UHFFFAOYSA-N
XLogP-1.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylsulfanylethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 50956247
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
CID 157343011
N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 108995187
2-(4-cyclopentylpiperazin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 62369296
2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 31313709
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
N-(2-hydroxyethyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 43509640
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 63309954
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
N-[2-(2-aminoethoxy)ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 175195064
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 50969531

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 43509649) is N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide is CN1CCCN(CC(=O)NCCO)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is LZBPMFGUSRFVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-12-4-2-5-13(7-6-12)9-10(15)11-3-8-14/h14H,2-9H2,1H3,(H,11,15).
What are the key properties of N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 215.30 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 43509649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).