6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one

C17H24N2O — CID 79978466

IUPAC6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one
SMILESCCN1C(=O)CCCC(N)C1c1ccc(C2CC2)cc1
InChIInChI=1S/C17H24N2O/c1-2-19-16(20)5-3-4-15(18)17(19)14-10-8-13(9-11-14)12-6-7-12/h8-12,15,17H,2-7,18H2,1H3
InChIKeyBFQGXUFTFRDCIU-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.96
Rot. Bonds3

About 6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one

6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one (PubChem CID 79978466) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one.

Molecular Properties

Compound Name6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one
PubChem CID79978466
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one
SMILESCCN1C(=O)CCCC(N)C1c1ccc(C2CC2)cc1
InChIInChI=1S/C17H24N2O/c1-2-19-16(20)5-3-4-15(18)17(19)14-10-8-13(9-11-14)12-6-7-12/h8-12,15,17H,2-7,18H2,1H3
InChIKeyBFQGXUFTFRDCIU-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one?
The IUPAC name of 6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one (CID 79978466) is 6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one.
What is the SMILES notation for 6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one?
The canonical SMILES for 6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one is CCN1C(=O)CCCC(N)C1c1ccc(C2CC2)cc1.
What is the InChIKey of 6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one?
The InChIKey is BFQGXUFTFRDCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-19-16(20)5-3-4-15(18)17(19)14-10-8-13(9-11-14)12-6-7-12/h8-12,15,17H,2-7,18H2,1H3.
What are the key properties of 6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one?
6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one has a molecular weight of 272.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one is sourced from PubChem (CID 79978466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).