azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone

C16H24N2O — CID 55082793

IUPACazepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C16H24N2O/c1-3-17-15-9-8-13(2)12-14(15)16(19)18-10-6-4-5-7-11-18/h8-9,12,17H,3-7,10-11H2,1-2H3
InChIKeyQRCWHPBTCFLBAV-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.44
Rot. Bonds3

About azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone

azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone (PubChem CID 55082793) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
PubChem CID55082793
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Nameazepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C16H24N2O/c1-3-17-15-9-8-13(2)12-14(15)16(19)18-10-6-4-5-7-11-18/h8-9,12,17H,3-7,10-11H2,1-2H3
InChIKeyQRCWHPBTCFLBAV-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 62510513
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228727
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436
[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 62510499
[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538392
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
[2-(ethylamino)-5-methylphenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62510031
N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 89329484
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62510512
[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936167

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone?
The IUPAC name of azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone (CID 55082793) is azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone.
What is the SMILES notation for azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone?
The canonical SMILES for azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone is CCNc1ccc(C)cc1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone?
The InChIKey is QRCWHPBTCFLBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-17-15-9-8-13(2)12-14(15)16(19)18-10-6-4-5-7-11-18/h8-9,12,17H,3-7,10-11H2,1-2H3.
What are the key properties of azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone?
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone has a molecular weight of 260.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone is sourced from PubChem (CID 55082793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).