2-[4-(propylamino)oxepan-4-yl]acetamide

C11H22N2O2 — CID 65235377

IUPAC2-[4-(propylamino)oxepan-4-yl]acetamide
SMILESCCCNC1(CC(N)=O)CCCOCC1
InChIInChI=1S/C11H22N2O2/c1-2-6-13-11(9-10(12)14)4-3-7-15-8-5-11/h13H,2-9H2,1H3,(H2,12,14)
InChIKeyKYRCRGXBOYNVJQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.80
Rot. Bonds5

About 2-[4-(propylamino)oxepan-4-yl]acetamide

2-[4-(propylamino)oxepan-4-yl]acetamide (PubChem CID 65235377) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[4-(propylamino)oxepan-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-(propylamino)oxepan-4-yl]acetamide
PubChem CID65235377
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[4-(propylamino)oxepan-4-yl]acetamide
SMILESCCCNC1(CC(N)=O)CCCOCC1
InChIInChI=1S/C11H22N2O2/c1-2-6-13-11(9-10(12)14)4-3-7-15-8-5-11/h13H,2-9H2,1H3,(H2,12,14)
InChIKeyKYRCRGXBOYNVJQ-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylamino)oxepan-4-yl]acetamide?
The IUPAC name of 2-[4-(propylamino)oxepan-4-yl]acetamide (CID 65235377) is 2-[4-(propylamino)oxepan-4-yl]acetamide.
What is the SMILES notation for 2-[4-(propylamino)oxepan-4-yl]acetamide?
The canonical SMILES for 2-[4-(propylamino)oxepan-4-yl]acetamide is CCCNC1(CC(N)=O)CCCOCC1.
What is the InChIKey of 2-[4-(propylamino)oxepan-4-yl]acetamide?
The InChIKey is KYRCRGXBOYNVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-6-13-11(9-10(12)14)4-3-7-15-8-5-11/h13H,2-9H2,1H3,(H2,12,14).
What are the key properties of 2-[4-(propylamino)oxepan-4-yl]acetamide?
2-[4-(propylamino)oxepan-4-yl]acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propylamino)oxepan-4-yl]acetamide is sourced from PubChem (CID 65235377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).