3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide

C35H56N4O2 — CID 139954498

IUPAC3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
SMILESCCCCCCCN(C)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCN(C)CCCCCCC)cc2)cc1
InChIInChI=1S/C35H56N4O2/c1-5-7-9-11-13-25-38(3)27-23-34(40)36-32-19-15-30(16-20-32)29-31-17-21-33(22-18-31)37-35(41)24-28-39(4)26-14-12-10-8-6-2/h15-22H,5-14,23-29H2,1-4H3,(H,36,40)(H,37,41)
InChIKeyPOQQANTVADOPOX-UHFFFAOYSA-N
MW564.86 g/mol
LogP7.74
Rot. Bonds22

About 3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide

3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide (PubChem CID 139954498) has the molecular formula C35H56N4O2 and a molecular weight of 564.86 g/mol. Its IUPAC name is 3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
PubChem CID139954498
Molecular FormulaC35H56N4O2
Molecular Weight564.86 g/mol
Exact Mass564.44
IUPAC Name3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
SMILESCCCCCCCN(C)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCN(C)CCCCCCC)cc2)cc1
InChIInChI=1S/C35H56N4O2/c1-5-7-9-11-13-25-38(3)27-23-34(40)36-32-19-15-30(16-20-32)29-31-17-21-33(22-18-31)37-35(41)24-28-39(4)26-14-12-10-8-6-2/h15-22H,5-14,23-29H2,1-4H3,(H,36,40)(H,37,41)
InChIKeyPOQQANTVADOPOX-UHFFFAOYSA-N
XLogP7.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.86
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide 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-[butyl(heptyl)amino]-N-[4-[[4-[3-[butyl(heptyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139955530
4-[octyl(pentyl)amino]-N-[4-[[4-[4-[octyl(pentyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139955611
3-[methyl(undecyl)amino]-N-[3-[[3-[3-[methyl(undecyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139955149
1-[4-[hexyl(methyl)amino]butyl]-3-[4-[[4-[4-[hexyl(methyl)amino]butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139955906
1-[2-[methyl(undecyl)amino]ethyl]-3-[4-[[4-[2-[methyl(undecyl)amino]ethylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139954855
1-[2-[methyl(octyl)amino]ethyl]-3-[4-[[4-[2-[methyl(octyl)amino]ethylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139954194
4-[methyl(nonyl)amino]-N-[3-[[3-[4-[methyl(nonyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139954348
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
CID 171154464
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid
CID 171154590

Frequently Asked Questions

What is the IUPAC name of 3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide?
The IUPAC name of 3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide (CID 139954498) is 3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide.
What is the SMILES notation for 3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide?
The canonical SMILES for 3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide is CCCCCCCN(C)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCN(C)CCCCCCC)cc2)cc1.
What is the InChIKey of 3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide?
The InChIKey is POQQANTVADOPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H56N4O2/c1-5-7-9-11-13-25-38(3)27-23-34(40)36-32-19-15-30(16-20-32)29-31-17-21-33(22-18-31)37-35(41)24-28-39(4)26-14-12-10-8-6-2/h15-22H,5-14,23-29H2,1-4H3,(H,36,40)(H,37,41).
What are the key properties of 3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide?
3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide has a molecular weight of 564.86 g/mol, XLogP of 7.74, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide is sourced from PubChem (CID 139954498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).