4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one

C15H29N3O2 — CID 20799000

IUPAC4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
SMILESCCN1CCCCCC1CN1CCOCC(NC)C1=O
InChIInChI=1S/C15H29N3O2/c1-3-17-8-6-4-5-7-13(17)11-18-9-10-20-12-14(16-2)15(18)19/h13-14,16H,3-12H2,1-2H3
InChIKeyFMZYORDHUFHSRR-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds4

About 4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one

4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 20799000) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID20799000
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
SMILESCCN1CCCCCC1CN1CCOCC(NC)C1=O
InChIInChI=1S/C15H29N3O2/c1-3-17-8-6-4-5-7-13(17)11-18-9-10-20-12-14(16-2)15(18)19/h13-14,16H,3-12H2,1-2H3
InChIKeyFMZYORDHUFHSRR-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetamido-N-hexyl-3-methoxypropanamide
CID 132550888
6-(Methylamino)-4-propyl-1,4-oxazepan-5-one
CID 20590196
4-[(1-Ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20799002
4-[2-(Dimethylamino)ethyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 22984981
4-(2-Methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984987
6-(Methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one
CID 22985007
4-Cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985012
4-(Cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985018
4-Cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985021
4-(Cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985024
4-Cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985028
4-(Cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985031

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one (CID 20799000) is 4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one is CCN1CCCCCC1CN1CCOCC(NC)C1=O.
What is the InChIKey of 4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is FMZYORDHUFHSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-17-8-6-4-5-7-13(17)11-18-9-10-20-12-14(16-2)15(18)19/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 283.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 20799000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).