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

C11H23N3O2 — CID 63310069

IUPAC2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCCN(CCO)CC1
InChIInChI=1S/C11H23N3O2/c1-10(11(16)12-2)14-5-3-4-13(6-7-14)8-9-15/h10,15H,3-9H2,1-2H3,(H,12,16)
InChIKeyUKJMRWGOVRNFJX-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.88
Rot. Bonds4

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

2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide (PubChem CID 63310069) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
PubChem CID63310069
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCCN(CCO)CC1
InChIInChI=1S/C11H23N3O2/c1-10(11(16)12-2)14-5-3-4-13(6-7-14)8-9-15/h10,15H,3-9H2,1-2H3,(H,12,16)
InChIKeyUKJMRWGOVRNFJX-UHFFFAOYSA-N
XLogP-0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-propan-2-ylpropanamide
CID 63310025
N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
CID 63309985
N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
CID 63310068
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(3-methylbutyl)propanamide
CID 63310111
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
2-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 75790691
N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60718696
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one
CID 107223182
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110884154
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 63309954
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide
CID 43252701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide (CID 63310069) is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide is CNC(=O)C(C)N1CCCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide?
The InChIKey is UKJMRWGOVRNFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(11(16)12-2)14-5-3-4-13(6-7-14)8-9-15/h10,15H,3-9H2,1-2H3,(H,12,16).
What are the key properties of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide?
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide has a molecular weight of 229.32 g/mol, XLogP of -0.88, 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-methylpropanamide is sourced from PubChem (CID 63310069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).