N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide

C22H36N2O2 — CID 42702502

IUPACN-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide
SMILESCCCCCCCC(=O)N(CCCNC(=O)CC(C)C)c1ccccc1
InChIInChI=1S/C22H36N2O2/c1-4-5-6-7-11-15-22(26)24(20-13-9-8-10-14-20)17-12-16-23-21(25)18-19(2)3/h8-10,13-14,19H,4-7,11-12,15-18H2,1-3H3,(H,23,25)
InChIKeyGNCKRTGFLZBCOM-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.93
Rot. Bonds13

About N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide

N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide (PubChem CID 42702502) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide.

Molecular Properties

Compound NameN-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide
PubChem CID42702502
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide
SMILESCCCCCCCC(=O)N(CCCNC(=O)CC(C)C)c1ccccc1
InChIInChI=1S/C22H36N2O2/c1-4-5-6-7-11-15-22(26)24(20-13-9-8-10-14-20)17-12-16-23-21(25)18-19(2)3/h8-10,13-14,19H,4-7,11-12,15-18H2,1-3H3,(H,23,25)
InChIKeyGNCKRTGFLZBCOM-UHFFFAOYSA-N
XLogP4.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide 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

3-(N-octanoylanilino)propanoic acid
CID 60831115
2-fluoro-N-[3-(N-octanoylanilino)propyl]benzamide
CID 42702500
N-ethyl-N-phenyloctadecanamide
CID 151424183
N-[3-(pentanoylamino)propyl]-N-phenylbenzamide
CID 42705905
N-[2-(octanoylamino)ethyl]-N-phenylbenzamide
CID 42704591
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N'-benzyl-N-pentyl-N'-phenylpropanediamide
CID 108951958

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide?
The IUPAC name of N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide (CID 42702502) is N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide.
What is the SMILES notation for N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide?
The canonical SMILES for N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide is CCCCCCCC(=O)N(CCCNC(=O)CC(C)C)c1ccccc1.
What is the InChIKey of N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide?
The InChIKey is GNCKRTGFLZBCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-4-5-6-7-11-15-22(26)24(20-13-9-8-10-14-20)17-12-16-23-21(25)18-19(2)3/h8-10,13-14,19H,4-7,11-12,15-18H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide?
N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide has a molecular weight of 360.54 g/mol, XLogP of 4.93, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide is sourced from PubChem (CID 42702502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).