ethyl 2-[4-(methylamino)oxepan-4-yl]acetate

C11H21NO3 — CID 65236733

IUPACethyl 2-[4-(methylamino)oxepan-4-yl]acetate
SMILESCCOC(=O)CC1(NC)CCCOCC1
InChIInChI=1S/C11H21NO3/c1-3-15-10(13)9-11(12-2)5-4-7-14-8-6-11/h12H,3-9H2,1-2H3
InChIKeyJQROOKWNOOIZGZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds4

About ethyl 2-[4-(methylamino)oxepan-4-yl]acetate

ethyl 2-[4-(methylamino)oxepan-4-yl]acetate (PubChem CID 65236733) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-[4-(methylamino)oxepan-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(methylamino)oxepan-4-yl]acetate
PubChem CID65236733
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-[4-(methylamino)oxepan-4-yl]acetate
SMILESCCOC(=O)CC1(NC)CCCOCC1
InChIInChI=1S/C11H21NO3/c1-3-15-10(13)9-11(12-2)5-4-7-14-8-6-11/h12H,3-9H2,1-2H3
InChIKeyJQROOKWNOOIZGZ-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-(methylamino)oxepan-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[4-(2-ethoxy-2-oxoethyl)oxan-4-yl]amino]propanoate
CID 177138623
ethyl 2-[4,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236678
ethyl 2-[4-(methylamino)-8-oxaspiro[4.5]decan-4-yl]acetate
CID 114244868
oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240412
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate
CID 65236795
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240459
2-[4-(ethylamino)oxepan-4-yl]acetic acid
CID 65234090
ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
CID 64539283
ethyl 4-(4-ethoxyoxan-4-yl)-4-oxobutanoate
CID 116774928
ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate
CID 118977664

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(methylamino)oxepan-4-yl]acetate?
The IUPAC name of ethyl 2-[4-(methylamino)oxepan-4-yl]acetate (CID 65236733) is ethyl 2-[4-(methylamino)oxepan-4-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(methylamino)oxepan-4-yl]acetate?
The canonical SMILES for ethyl 2-[4-(methylamino)oxepan-4-yl]acetate is CCOC(=O)CC1(NC)CCCOCC1.
What is the InChIKey of ethyl 2-[4-(methylamino)oxepan-4-yl]acetate?
The InChIKey is JQROOKWNOOIZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-10(13)9-11(12-2)5-4-7-14-8-6-11/h12H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[4-(methylamino)oxepan-4-yl]acetate?
ethyl 2-[4-(methylamino)oxepan-4-yl]acetate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(methylamino)oxepan-4-yl]acetate is sourced from PubChem (CID 65236733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).