2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide

C10H21N3O2 — CID 63309954

IUPAC2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCN(CCO)CC1
InChIInChI=1S/C10H21N3O2/c1-11-10(15)9-13-4-2-3-12(5-6-13)7-8-14/h14H,2-9H2,1H3,(H,11,15)
InChIKeyQBINOYYEMYSWRT-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.27
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide

2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide (PubChem CID 63309954) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
PubChem CID63309954
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCN(CCO)CC1
InChIInChI=1S/C10H21N3O2/c1-11-10(15)9-13-4-2-3-12(5-6-13)7-8-14/h14H,2-9H2,1H3,(H,11,15)
InChIKeyQBINOYYEMYSWRT-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-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 55204264
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63309616
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
2-[4-[4-(methylamino)-4-oxobutyl]-1,4-diazepan-1-yl]acetic acid
CID 63892098
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 63310069
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63310116
2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid
CID 155726280
N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide (CID 63309954) is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide is CNC(=O)CN1CCCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide?
The InChIKey is QBINOYYEMYSWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-11-10(15)9-13-4-2-3-12(5-6-13)7-8-14/h14H,2-9H2,1H3,(H,11,15).
What are the key properties of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide?
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide 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 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide is sourced from PubChem (CID 63309954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).