[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone

C17H26N2O — CID 104690846

IUPAC[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
SMILESCCNc1ccccc1C(=O)N1CCCCCC1CC
InChIInChI=1S/C17H26N2O/c1-3-14-10-6-5-9-13-19(14)17(20)15-11-7-8-12-16(15)18-4-2/h7-8,11-12,14,18H,3-6,9-10,13H2,1-2H3
InChIKeyTXMDWCAVFJCLDX-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.91
Rot. Bonds4

About [2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone

[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone (PubChem CID 104690846) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
PubChem CID104690846
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
SMILESCCNc1ccccc1C(=O)N1CCCCCC1CC
InChIInChI=1S/C17H26N2O/c1-3-14-10-6-5-9-13-19(14)17(20)15-11-7-8-12-16(15)18-4-2/h7-8,11-12,14,18H,3-6,9-10,13H2,1-2H3
InChIKeyTXMDWCAVFJCLDX-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
[2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62479621
[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83044104
2-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 43266727
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
[2-(hydroxymethyl)azepan-1-yl]-[2-(propan-2-ylamino)phenyl]methanone
CID 116635542
[4-(ethylamino)-6-methyl-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 81235968
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
(2-bromo-3-methylphenyl)-(2-ethylazepan-1-yl)methanone
CID 107982609
(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55137776
(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071156

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone?
The IUPAC name of [2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone (CID 104690846) is [2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone is CCNc1ccccc1C(=O)N1CCCCCC1CC.
What is the InChIKey of [2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone?
The InChIKey is TXMDWCAVFJCLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-14-10-6-5-9-13-19(14)17(20)15-11-7-8-12-16(15)18-4-2/h7-8,11-12,14,18H,3-6,9-10,13H2,1-2H3.
What are the key properties of [2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone?
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone has a molecular weight of 274.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone is sourced from PubChem (CID 104690846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).