2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide

C11H23N3O2 — CID 62832566

IUPAC2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)CN1CCCNCC1
InChIInChI=1S/C11H23N3O2/c1-10(15)8-13(2)11(16)9-14-6-3-4-12-5-7-14/h10,12,15H,3-9H2,1-2H3
InChIKeyGHODBVWWSVQYOJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.88
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide

2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide (PubChem CID 62832566) 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-(2-hydroxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
PubChem CID62832566
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)CN1CCCNCC1
InChIInChI=1S/C11H23N3O2/c1-10(15)8-13(2)11(16)9-14-6-3-4-12-5-7-14/h10,12,15H,3-9H2,1-2H3
InChIKeyGHODBVWWSVQYOJ-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-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]acetic acid
CID 62838348
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 62839862
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62839573
2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 62838070
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
CID 62837604
2-(1,4-diazepan-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 62839206
1-(dimethylamino)propan-2-yl 2-(1,4-diazepan-1-yl)acetate
CID 112741380
2-(1,4-diazepan-1-yl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 62837368
2-(1,4-diazepan-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62839218
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 62837072
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide (CID 62832566) is 2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide is CC(O)CN(C)C(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide?
The InChIKey is GHODBVWWSVQYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(15)8-13(2)11(16)9-14-6-3-4-12-5-7-14/h10,12,15H,3-9H2,1-2H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide?
2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide 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-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide is sourced from PubChem (CID 62832566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).