N-hexadecyl-4-methoxy-N-phenylbenzamide

C30H45NO2 — CID 13203872

IUPACN-hexadecyl-4-methoxy-N-phenylbenzamide
SMILESCCCCCCCCCCCCCCCCN(C(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C30H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-31(28-20-17-16-18-21-28)30(32)27-22-24-29(33-2)25-23-27/h16-18,20-25H,3-15,19,26H2,1-2H3
InChIKeyJFMWAYPKZREJLX-UHFFFAOYSA-N
MW451.70 g/mol
LogP8.82
Rot. Bonds18

About N-hexadecyl-4-methoxy-N-phenylbenzamide

N-hexadecyl-4-methoxy-N-phenylbenzamide (PubChem CID 13203872) has the molecular formula C30H45NO2 and a molecular weight of 451.70 g/mol. Its IUPAC name is N-hexadecyl-4-methoxy-N-phenylbenzamide.

Molecular Properties

Compound NameN-hexadecyl-4-methoxy-N-phenylbenzamide
PubChem CID13203872
Molecular FormulaC30H45NO2
Molecular Weight451.70 g/mol
Exact Mass451.35
IUPAC NameN-hexadecyl-4-methoxy-N-phenylbenzamide
SMILESCCCCCCCCCCCCCCCCN(C(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C30H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-31(28-20-17-16-18-21-28)30(32)27-22-24-29(33-2)25-23-27/h16-18,20-25H,3-15,19,26H2,1-2H3
InChIKeyJFMWAYPKZREJLX-UHFFFAOYSA-N
XLogP8.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.70
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hexadecyl-4-methoxy-N-phenylbenzamide 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

4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
CID 14872044
N-(4-methoxyphenyl)-N-[3-(methylamino)propyl]benzamide
CID 14872039
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
CID 168861521
4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide
CID 157213246
octyl(phenyl)carbamic acid
CID 54301990
N-hexyl-N-phenylacetamide
CID 13217997
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 4013315
N,N-dibutyl-4-methoxybenzamide
CID 2163395
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
methyl 3-[benzoyl(nonyl)amino]-5-bromobenzoate
CID 53244118

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-4-methoxy-N-phenylbenzamide?
The IUPAC name of N-hexadecyl-4-methoxy-N-phenylbenzamide (CID 13203872) is N-hexadecyl-4-methoxy-N-phenylbenzamide.
What is the SMILES notation for N-hexadecyl-4-methoxy-N-phenylbenzamide?
The canonical SMILES for N-hexadecyl-4-methoxy-N-phenylbenzamide is CCCCCCCCCCCCCCCCN(C(=O)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of N-hexadecyl-4-methoxy-N-phenylbenzamide?
The InChIKey is JFMWAYPKZREJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-31(28-20-17-16-18-21-28)30(32)27-22-24-29(33-2)25-23-27/h16-18,20-25H,3-15,19,26H2,1-2H3.
What are the key properties of N-hexadecyl-4-methoxy-N-phenylbenzamide?
N-hexadecyl-4-methoxy-N-phenylbenzamide has a molecular weight of 451.70 g/mol, XLogP of 8.82, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-4-methoxy-N-phenylbenzamide is sourced from PubChem (CID 13203872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).