2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide

C15H30N2O2 — CID 114338856

IUPAC2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(O)CC1CCCCCN1CC(=O)N(C)C(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)16(4)15(19)11-17-9-7-5-6-8-14(17)10-13(3)18/h12-14,18H,5-11H2,1-4H3
InChIKeyGCRFIOHOFPRFCN-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.87
Rot. Bonds5

About 2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 114338856) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID114338856
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(O)CC1CCCCCN1CC(=O)N(C)C(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)16(4)15(19)11-17-9-7-5-6-8-14(17)10-13(3)18/h12-14,18H,5-11H2,1-4H3
InChIKeyGCRFIOHOFPRFCN-UHFFFAOYSA-N
XLogP1.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43186999
2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899773
N-cyclopropyl-N-ethyl-2-[2-(2-hydroxypropyl)piperidin-1-yl]acetamide
CID 114338146
methyl 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 62027896
3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 114337979
ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
CID 114338113
1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
CID 114338880
2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone
CID 114338646
N-methyl-2-[2-[1-(methylamino)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63854674
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
CID 114338898
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 110898913
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 114338856) is 2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(O)CC1CCCCCN1CC(=O)N(C)C(C)C.
What is the InChIKey of 2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is GCRFIOHOFPRFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)16(4)15(19)11-17-9-7-5-6-8-14(17)10-13(3)18/h12-14,18H,5-11H2,1-4H3.
What are the key properties of 2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 270.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114338856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).