N-[4-(1-aminoethyl)phenyl]nonanamide

C17H28N2O — CID 65449674

IUPACN-[4-(1-aminoethyl)phenyl]nonanamide
SMILESCCCCCCCCC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-7-8-9-17(20)19-16-12-10-15(11-13-16)14(2)18/h10-14H,3-9,18H2,1-2H3,(H,19,20)
InChIKeyFNRFWPQUENACFJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.40
Rot. Bonds9

About N-[4-(1-aminoethyl)phenyl]nonanamide

N-[4-(1-aminoethyl)phenyl]nonanamide (PubChem CID 65449674) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]nonanamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]nonanamide
PubChem CID65449674
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[4-(1-aminoethyl)phenyl]nonanamide
SMILESCCCCCCCCC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-7-8-9-17(20)19-16-12-10-15(11-13-16)14(2)18/h10-14H,3-9,18H2,1-2H3,(H,19,20)
InChIKeyFNRFWPQUENACFJ-UHFFFAOYSA-N
XLogP4.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
N-[4-(icosanoylamino)phenyl]icosanamide
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N-(4-butan-2-ylphenyl)tetradecanamide
CID 4191696
N-[4-[1-(methylamino)ethyl]phenyl]nonanamide
CID 65449865
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
1-[4-(1-aminoethyl)phenyl]octan-1-one
CID 67603381
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
N-(4-heptylphenyl)heptanamide
CID 101077737

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]nonanamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]nonanamide (CID 65449674) is N-[4-(1-aminoethyl)phenyl]nonanamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]nonanamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]nonanamide is CCCCCCCCC(=O)Nc1ccc(C(C)N)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]nonanamide?
The InChIKey is FNRFWPQUENACFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-5-6-7-8-9-17(20)19-16-12-10-15(11-13-16)14(2)18/h10-14H,3-9,18H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(1-aminoethyl)phenyl]nonanamide?
N-[4-(1-aminoethyl)phenyl]nonanamide has a molecular weight of 276.42 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]nonanamide is sourced from PubChem (CID 65449674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).