1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one

C17H33N3O — CID 20798935

IUPAC1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one
SMILESCCN1CCCCC(CN2CCCC(C)C(NC)C2=O)C1
InChIInChI=1S/C17H33N3O/c1-4-19-10-6-5-9-15(12-19)13-20-11-7-8-14(2)16(18-3)17(20)21/h14-16,18H,4-13H2,1-3H3
InChIKeyGYSGRRJCNYOFPV-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.95
Rot. Bonds4

About 1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one

1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one (PubChem CID 20798935) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one
PubChem CID20798935
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one
SMILESCCN1CCCCC(CN2CCCC(C)C(NC)C2=O)C1
InChIInChI=1S/C17H33N3O/c1-4-19-10-6-5-9-15(12-19)13-20-11-7-8-14(2)16(18-3)17(20)21/h14-16,18H,4-13H2,1-3H3
InChIKeyGYSGRRJCNYOFPV-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hexahydro-3-(2-methylpropyl)-2H-1,4-diazepin-2-one
CID 13520382
3,4,5,6-Tetrahydro-2H-azepin-7-ol--6-(dimethylamino)-3,4,5,6-tetrahydro-2H-azepin-7-ol (1/1)
CID 44144968
1-Methyl-4-[(4-methyl-1,4-diazepan-1-yl)acetyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72933471
2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide
CID 56643348
N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide
CID 56643353
2-methyl-N-(1-methyl-2-oxoazepan-3-yl)pentanamide
CID 53385001
5-[4-(3-Cyclohexylpropanoyl)-1,4-diazepan-1-yl]azepan-2-one
CID 138808568
1-(3-Aminopropyl)-3-(dibutylamino)azepan-2-one
CID 20191193
4-Methyl-3-(methylamino)-1-propylazepan-2-one
CID 20589964
5,5-Dimethyl-3-(methylamino)-1-propylazepan-2-one
CID 20590014
5-Methyl-3-(methylamino)-1-propylazepan-2-one
CID 20590058
6-Methyl-3-(methylamino)-1-propylazepan-2-one
CID 20590148

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one (CID 20798935) is 1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one is CCN1CCCCC(CN2CCCC(C)C(NC)C2=O)C1.
What is the InChIKey of 1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one?
The InChIKey is GYSGRRJCNYOFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-19-10-6-5-9-15(12-19)13-20-11-7-8-14(2)16(18-3)17(20)21/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one?
1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one has a molecular weight of 295.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 20798935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).