4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one

C15H29N3O2 — CID 20799002

IUPAC4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
SMILESCCN1CCCCC(CN2CCOCC(NC)C2=O)C1
InChIInChI=1S/C15H29N3O2/c1-3-17-7-5-4-6-13(10-17)11-18-8-9-20-12-14(16-2)15(18)19/h13-14,16H,3-12H2,1-2H3
InChIKeyUEIBTSZVQWSIAJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.56
Rot. Bonds4

About 4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one

4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 20799002) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID20799002
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
SMILESCCN1CCCCC(CN2CCOCC(NC)C2=O)C1
InChIInChI=1S/C15H29N3O2/c1-3-17-7-5-4-6-13(10-17)11-18-8-9-20-12-14(16-2)15(18)19/h13-14,16H,3-12H2,1-2H3
InChIKeyUEIBTSZVQWSIAJ-UHFFFAOYSA-N
XLogP0.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one (CID 20799002) is 4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one is CCN1CCCCC(CN2CCOCC(NC)C2=O)C1.
What is the InChIKey of 4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is UEIBTSZVQWSIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-17-7-5-4-6-13(10-17)11-18-8-9-20-12-14(16-2)15(18)19/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 283.42 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 20799002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).