N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide

C23H38N2O2 — CID 4567279

IUPACN-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCCCCC(CC)CNC(=O)CC(C)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H38N2O2/c1-6-8-9-19(7-2)16-24-22(26)14-18(5)15-23(27)25-21-12-10-20(11-13-21)17(3)4/h10-13,17-19H,6-9,14-16H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyUOKJYKAECCVMTM-UHFFFAOYSA-N
MW374.57 g/mol
LogP5.50
Rot. Bonds12

About N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide

N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide (PubChem CID 4567279) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
PubChem CID4567279
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC NameN-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCCCCC(CC)CNC(=O)CC(C)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H38N2O2/c1-6-8-9-19(7-2)16-24-22(26)14-18(5)15-23(27)25-21-12-10-20(11-13-21)17(3)4/h10-13,17-19H,6-9,14-16H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyUOKJYKAECCVMTM-UHFFFAOYSA-N
XLogP5.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide 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-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 51362485
(3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323883
N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 5122377
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
3-cyano-N-(4-propan-2-ylphenyl)hexanamide
CID 112516658
4-oxo-2-(pentylamino)-4-(4-propan-2-ylanilino)butanoic acid
CID 3355492
butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide
CID 23615613
(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7324001
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 55353682
1-(2-ethylhexyl)-3-(4-methylphenyl)thiourea
CID 19651723
(3S)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7318082

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The IUPAC name of N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide (CID 4567279) is N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide.
What is the SMILES notation for N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The canonical SMILES for N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide is CCCCC(CC)CNC(=O)CC(C)CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The InChIKey is UOKJYKAECCVMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-6-8-9-19(7-2)16-24-22(26)14-18(5)15-23(27)25-21-12-10-20(11-13-21)17(3)4/h10-13,17-19H,6-9,14-16H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide has a molecular weight of 374.57 g/mol, XLogP of 5.50, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide is sourced from PubChem (CID 4567279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).