1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one

C16H30N2O2 — CID 103742138

IUPAC1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one
SMILESCOC1CC(NC(C)C(=O)N2CCCCCC2)C1(C)C
InChIInChI=1S/C16H30N2O2/c1-12(15(19)18-9-7-5-6-8-10-18)17-13-11-14(20-4)16(13,2)3/h12-14,17H,5-11H2,1-4H3
InChIKeyOGZQNHZFEVHMGT-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds4

About 1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one

1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one (PubChem CID 103742138) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one
PubChem CID103742138
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one
SMILESCOC1CC(NC(C)C(=O)N2CCCCCC2)C1(C)C
InChIInChI=1S/C16H30N2O2/c1-12(15(19)18-9-7-5-6-8-10-18)17-13-11-14(20-4)16(13,2)3/h12-14,17H,5-11H2,1-4H3
InChIKeyOGZQNHZFEVHMGT-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one (CID 103742138) is 1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one is COC1CC(NC(C)C(=O)N2CCCCCC2)C1(C)C.
What is the InChIKey of 1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one?
The InChIKey is OGZQNHZFEVHMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(15(19)18-9-7-5-6-8-10-18)17-13-11-14(20-4)16(13,2)3/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one?
1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-1-one is sourced from PubChem (CID 103742138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).