2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide

C11H23N3O2 — CID 65035920

IUPAC2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCC(CO)CNC(=O)CN1CCCNCC1
InChIInChI=1S/C11H23N3O2/c1-10(9-15)7-13-11(16)8-14-5-2-3-12-4-6-14/h10,12,15H,2-9H2,1H3,(H,13,16)
InChIKeyLXWXTHDWDWYRCG-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.97
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide

2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide (PubChem CID 65035920) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
PubChem CID65035920
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCC(CO)CNC(=O)CN1CCCNCC1
InChIInChI=1S/C11H23N3O2/c1-10(9-15)7-13-11(16)8-14-5-2-3-12-4-6-14/h10,12,15H,2-9H2,1H3,(H,13,16)
InChIKeyLXWXTHDWDWYRCG-UHFFFAOYSA-N
XLogP-0.97
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81073099
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118
2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 62839766
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81073298
2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 62837051
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862
N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 69457989
2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide (CID 65035920) is 2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide is CC(CO)CNC(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The InChIKey is LXWXTHDWDWYRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(9-15)7-13-11(16)8-14-5-2-3-12-4-6-14/h10,12,15H,2-9H2,1H3,(H,13,16).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide has a molecular weight of 229.32 g/mol, XLogP of -0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65035920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).