N-[4-(diethylamino)phenyl]undecanamide

C21H36N2O — CID 4594726

IUPACN-[4-(diethylamino)phenyl]undecanamide
SMILESCCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H36N2O/c1-4-7-8-9-10-11-12-13-14-21(24)22-19-15-17-20(18-16-19)23(5-2)6-3/h15-18H,4-14H2,1-3H3,(H,22,24)
InChIKeyQOCQFEDKLNMWRD-UHFFFAOYSA-N
MW332.53 g/mol
LogP6.00
Rot. Bonds13

About N-[4-(diethylamino)phenyl]undecanamide

N-[4-(diethylamino)phenyl]undecanamide (PubChem CID 4594726) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]undecanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]undecanamide
PubChem CID4594726
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC NameN-[4-(diethylamino)phenyl]undecanamide
SMILESCCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H36N2O/c1-4-7-8-9-10-11-12-13-14-21(24)22-19-15-17-20(18-16-19)23(5-2)6-3/h15-18H,4-14H2,1-3H3,(H,22,24)
InChIKeyQOCQFEDKLNMWRD-UHFFFAOYSA-N
XLogP6.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
CID 54599918
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
CID 166628013
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
5-bromo-N-[4-(diethylamino)phenyl]pentanamide
CID 107907428
N-(4-acetamidophenyl)hexanamide
CID 4953736
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113115863
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]undecanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]undecanamide (CID 4594726) is N-[4-(diethylamino)phenyl]undecanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]undecanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]undecanamide is CCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]undecanamide?
The InChIKey is QOCQFEDKLNMWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-4-7-8-9-10-11-12-13-14-21(24)22-19-15-17-20(18-16-19)23(5-2)6-3/h15-18H,4-14H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)phenyl]undecanamide?
N-[4-(diethylamino)phenyl]undecanamide has a molecular weight of 332.53 g/mol, XLogP of 6.00, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]undecanamide is sourced from PubChem (CID 4594726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).