N-[4-[1-(methylamino)ethyl]phenyl]nonanamide

C18H30N2O — CID 65449865

IUPACN-[4-[1-(methylamino)ethyl]phenyl]nonanamide
SMILESCCCCCCCCC(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C18H30N2O/c1-4-5-6-7-8-9-10-18(21)20-17-13-11-16(12-14-17)15(2)19-3/h11-15,19H,4-10H2,1-3H3,(H,20,21)
InChIKeyPOKHYHSUUCWDSM-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.66
Rot. Bonds10

About N-[4-[1-(methylamino)ethyl]phenyl]nonanamide

N-[4-[1-(methylamino)ethyl]phenyl]nonanamide (PubChem CID 65449865) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[4-[1-(methylamino)ethyl]phenyl]nonanamide.

Molecular Properties

Compound NameN-[4-[1-(methylamino)ethyl]phenyl]nonanamide
PubChem CID65449865
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[4-[1-(methylamino)ethyl]phenyl]nonanamide
SMILESCCCCCCCCC(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C18H30N2O/c1-4-5-6-7-8-9-10-18(21)20-17-13-11-16(12-14-17)15(2)19-3/h11-15,19H,4-10H2,1-3H3,(H,20,21)
InChIKeyPOKHYHSUUCWDSM-UHFFFAOYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.66
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-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(1-aminoethyl)phenyl]nonanamide
CID 65449674
N-(4-butan-2-ylphenyl)tetradecanamide
CID 4191696
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260
N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
CID 54599918
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]nonanamide?
The IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]nonanamide (CID 65449865) is N-[4-[1-(methylamino)ethyl]phenyl]nonanamide.
What is the SMILES notation for N-[4-[1-(methylamino)ethyl]phenyl]nonanamide?
The canonical SMILES for N-[4-[1-(methylamino)ethyl]phenyl]nonanamide is CCCCCCCCC(=O)Nc1ccc(C(C)NC)cc1.
What is the InChIKey of N-[4-[1-(methylamino)ethyl]phenyl]nonanamide?
The InChIKey is POKHYHSUUCWDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-5-6-7-8-9-10-18(21)20-17-13-11-16(12-14-17)15(2)19-3/h11-15,19H,4-10H2,1-3H3,(H,20,21).
What are the key properties of N-[4-[1-(methylamino)ethyl]phenyl]nonanamide?
N-[4-[1-(methylamino)ethyl]phenyl]nonanamide has a molecular weight of 290.45 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(methylamino)ethyl]phenyl]nonanamide is sourced from PubChem (CID 65449865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).