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

C9H19N3O2 — CID 63309616

IUPAC2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(CCO)CC1
InChIInChI=1S/C9H19N3O2/c10-9(14)8-12-3-1-2-11(4-5-12)6-7-13/h13H,1-8H2,(H2,10,14)
InChIKeyPNASOBPJATWQPT-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.53
Rot. Bonds4

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

2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 63309616) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
PubChem CID63309616
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(CCO)CC1
InChIInChI=1S/C9H19N3O2/c10-9(14)8-12-3-1-2-11(4-5-12)6-7-13/h13H,1-8H2,(H2,10,14)
InChIKeyPNASOBPJATWQPT-UHFFFAOYSA-N
XLogP-1.53
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101001022
2-[7-(2-amino-2-oxoethyl)-4-(carboxymethyl)-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170255326
2-(azetidin-1-yl)acetamide
CID 18923030
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide
CID 43252657
λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 163474801
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 63309954
2-[4-(3-amino-3-oxopropyl)-1,4-diazepan-1-yl]acetic acid
CID 62823266
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethanol
CID 43253174
N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 107214181
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 60645190
2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 80695797
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide (CID 63309616) is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide is NC(=O)CN1CCCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is PNASOBPJATWQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-9(14)8-12-3-1-2-11(4-5-12)6-7-13/h13H,1-8H2,(H2,10,14).
What are the key properties of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 201.27 g/mol, XLogP of -1.53, 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]acetamide is sourced from PubChem (CID 63309616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).