2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide

C18H30N2O — CID 43507662

IUPAC2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C(C)NCC)cc1
InChIInChI=1S/C18H30N2O/c1-5-8-9-15(6-2)18(21)20-17-12-10-16(11-13-17)14(4)19-7-3/h10-15,19H,5-9H2,1-4H3,(H,20,21)
InChIKeyPALWQOZKHSDFDP-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.51
Rot. Bonds9

About 2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide

2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide (PubChem CID 43507662) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide
PubChem CID43507662
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C(C)NCC)cc1
InChIInChI=1S/C18H30N2O/c1-5-8-9-15(6-2)18(21)20-17-12-10-16(11-13-17)14(4)19-7-3/h10-15,19H,5-9H2,1-4H3,(H,20,21)
InChIKeyPALWQOZKHSDFDP-UHFFFAOYSA-N
XLogP4.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912
N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide
CID 82985299
N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide
CID 43297451
(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide
CID 7801539
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
(2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide
CID 40547684
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
N-benzyl-4-(2-ethylhexanoylamino)benzamide
CID 546715
N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide
CID 19736343
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421
N-[4-[1-(ethylamino)ethyl]phenyl]-2-phenylacetamide
CID 43507673

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide?
The IUPAC name of 2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide (CID 43507662) is 2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide?
The canonical SMILES for 2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide is CCCCC(CC)C(=O)Nc1ccc(C(C)NCC)cc1.
What is the InChIKey of 2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide?
The InChIKey is PALWQOZKHSDFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-8-9-15(6-2)18(21)20-17-12-10-16(11-13-17)14(4)19-7-3/h10-15,19H,5-9H2,1-4H3,(H,20,21).
What are the key properties of 2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide?
2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide has a molecular weight of 290.45 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide is sourced from PubChem (CID 43507662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).