N-acetyl-N-[4-(diethylamino)phenyl]octanamide

C20H32N2O2 — CID 59791369

IUPACN-acetyl-N-[4-(diethylamino)phenyl]octanamide
SMILESCCCCCCCC(=O)N(C(C)=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C20H32N2O2/c1-5-8-9-10-11-12-20(24)22(17(4)23)19-15-13-18(14-16-19)21(6-2)7-3/h13-16H,5-12H2,1-4H3
InChIKeyJABCRQDVRZHROW-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.77
Rot. Bonds10

About N-acetyl-N-[4-(diethylamino)phenyl]octanamide

N-acetyl-N-[4-(diethylamino)phenyl]octanamide (PubChem CID 59791369) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-acetyl-N-[4-(diethylamino)phenyl]octanamide.

Molecular Properties

Compound NameN-acetyl-N-[4-(diethylamino)phenyl]octanamide
PubChem CID59791369
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-acetyl-N-[4-(diethylamino)phenyl]octanamide
SMILESCCCCCCCC(=O)N(C(C)=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C20H32N2O2/c1-5-8-9-10-11-12-20(24)22(17(4)23)19-15-13-18(14-16-19)21(6-2)7-3/h13-16H,5-12H2,1-4H3
InChIKeyJABCRQDVRZHROW-UHFFFAOYSA-N
XLogP4.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-acetyl-N-[4-(diethylamino)phenyl]octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
CID 54599918
N-acetyl-N-methyltetradecanamide
CID 54508567
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
bis[4-[decyl(ethyl)amino]phenyl]methanone
CID 150764383
N-ethyl-N-phenyloctadecanamide
CID 151424183
N-decanoyl-N-methyldecanamide
CID 141076390
1-[4-(diethylamino)phenyl]-3-hexylurea
CID 71323969
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113115863
N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide
CID 54021759

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(diethylamino)phenyl]octanamide?
The IUPAC name of N-acetyl-N-[4-(diethylamino)phenyl]octanamide (CID 59791369) is N-acetyl-N-[4-(diethylamino)phenyl]octanamide.
What is the SMILES notation for N-acetyl-N-[4-(diethylamino)phenyl]octanamide?
The canonical SMILES for N-acetyl-N-[4-(diethylamino)phenyl]octanamide is CCCCCCCC(=O)N(C(C)=O)c1ccc(N(CC)CC)cc1.
What is the InChIKey of N-acetyl-N-[4-(diethylamino)phenyl]octanamide?
The InChIKey is JABCRQDVRZHROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-5-8-9-10-11-12-20(24)22(17(4)23)19-15-13-18(14-16-19)21(6-2)7-3/h13-16H,5-12H2,1-4H3.
What are the key properties of N-acetyl-N-[4-(diethylamino)phenyl]octanamide?
N-acetyl-N-[4-(diethylamino)phenyl]octanamide has a molecular weight of 332.49 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-(diethylamino)phenyl]octanamide is sourced from PubChem (CID 59791369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).