N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide

C16H26N2O — CID 43297451

IUPACN-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-4-6-7-13(5-2)16(19)18-12(3)14-8-10-15(17)11-9-14/h8-13H,4-7,17H2,1-3H3,(H,18,19)
InChIKeyPNUMVCTVIWGMGV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.66
Rot. Bonds7

About N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide

N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide (PubChem CID 43297451) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide
PubChem CID43297451
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-4-6-7-13(5-2)16(19)18-12(3)14-8-10-15(17)11-9-14/h8-13H,4-7,17H2,1-3H3,(H,18,19)
InChIKeyPNUMVCTVIWGMGV-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide
CID 43507662
2-amino-N-[1-(4-ethylphenyl)ethyl]hexanamide
CID 54928586
2-(aminomethyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354281
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
CID 65228834
2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354622
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
(2S)-2-(2-ethylhexanoylamino)-2-phenylacetic acid
CID 104896986
(2R)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846030
11-[[(1S)-1-(4-aminophenyl)ethyl]amino]-10-methyl-11-oxoundecanoic acid
CID 175510550
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846028
1-(4-aminophenyl)ethylurea
CID 43298080
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide (CID 43297451) is N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide is CCCCC(CC)C(=O)NC(C)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide?
The InChIKey is PNUMVCTVIWGMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-6-7-13(5-2)16(19)18-12(3)14-8-10-15(17)11-9-14/h8-13H,4-7,17H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide?
N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide has a molecular weight of 262.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-2-ethylhexanamide is sourced from PubChem (CID 43297451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).