N-[2-(4-aminophenyl)ethyl]decanamide

C18H30N2O — CID 22980985

IUPACN-[2-(4-aminophenyl)ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-18(21)20-15-14-16-10-12-17(19)13-11-16/h10-13H,2-9,14-15,19H2,1H3,(H,20,21)
InChIKeyJFIXIBREDRQBFD-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.07
Rot. Bonds11

About N-[2-(4-aminophenyl)ethyl]decanamide

N-[2-(4-aminophenyl)ethyl]decanamide (PubChem CID 22980985) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]decanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]decanamide
PubChem CID22980985
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2-(4-aminophenyl)ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-18(21)20-15-14-16-10-12-17(19)13-11-16/h10-13H,2-9,14-15,19H2,1H3,(H,20,21)
InChIKeyJFIXIBREDRQBFD-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide
CID 119549004
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119549003
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride
CID 119548257
1-(4-aminophenyl)nonan-3-one
CID 116605500
4-(4-aminophenyl)-N-(5-oxohexyl)butanamide
CID 23579156
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]decanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]decanamide (CID 22980985) is N-[2-(4-aminophenyl)ethyl]decanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]decanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]decanamide is CCCCCCCCCC(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]decanamide?
The InChIKey is JFIXIBREDRQBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-18(21)20-15-14-16-10-12-17(19)13-11-16/h10-13H,2-9,14-15,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-aminophenyl)ethyl]decanamide?
N-[2-(4-aminophenyl)ethyl]decanamide has a molecular weight of 290.45 g/mol, XLogP of 4.07, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]decanamide is sourced from PubChem (CID 22980985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).