4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide

C35H64N8O8 — CID 59046039

IUPAC4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
SMILESCC(C)CCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCCCCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCC(C)C
InChIInChI=1S/C35H64N8O8/c1-26(2)8-10-28(44)38-20-14-32(48)42-24-16-34(50)40-22-12-30(46)36-18-6-5-7-19-37-31(47)13-23-41-35(51)17-25-43-33(49)15-21-39-29(45)11-9-27(3)4/h26-27H,5-25H2,1-4H3,(H,36,46)(H,37,47)(H,38,44)(H,39,45)(H,40,50)(H,41,51)(H,42,48)(H,43,49)
InChIKeyCKYVKEBMZBVLGT-UHFFFAOYSA-N
MW724.94 g/mol
LogP0.30
Rot. Bonds30

About 4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide

4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide (PubChem CID 59046039) has the molecular formula C35H64N8O8 and a molecular weight of 724.94 g/mol. Its IUPAC name is 4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
PubChem CID59046039
Molecular FormulaC35H64N8O8
Molecular Weight724.94 g/mol
Exact Mass724.48
IUPAC Name4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
SMILESCC(C)CCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCCCCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCC(C)C
InChIInChI=1S/C35H64N8O8/c1-26(2)8-10-28(44)38-20-14-32(48)42-24-16-34(50)40-22-12-30(46)36-18-6-5-7-19-37-31(47)13-23-41-35(51)17-25-43-33(49)15-21-39-29(45)11-9-27(3)4/h26-27H,5-25H2,1-4H3,(H,36,46)(H,37,47)(H,38,44)(H,39,45)(H,40,50)(H,41,51)(H,42,48)(H,43,49)
InChIKeyCKYVKEBMZBVLGT-UHFFFAOYSA-N
XLogP0.30
TPSA232.80 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.94
LogP ≤ 50.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide 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-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
N-(4-bromopentyl)-4-methylpentanamide
CID 106131429
N-hexyl-6-methylheptanamide
CID 141197249
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
3-(7-methyloctanoylamino)propanoic acid
CID 115729984
3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide
CID 167059947
N-butyl-7-methyloctanamide
CID 154028337
N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide
CID 77036898

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide?
The IUPAC name of 4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide (CID 59046039) is 4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide?
The canonical SMILES for 4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide is CC(C)CCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCCCCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCC(C)C.
What is the InChIKey of 4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide?
The InChIKey is CKYVKEBMZBVLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64N8O8/c1-26(2)8-10-28(44)38-20-14-32(48)42-24-16-34(50)40-22-12-30(46)36-18-6-5-7-19-37-31(47)13-23-41-35(51)17-25-43-33(49)15-21-39-29(45)11-9-27(3)4/h26-27H,5-25H2,1-4H3,(H,36,46)(H,37,47)(H,38,44)(H,39,45)(H,40,50)(H,41,51)(H,42,48)(H,43,49).
What are the key properties of 4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide?
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide has a molecular weight of 724.94 g/mol, XLogP of 0.30, 30 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide is sourced from PubChem (CID 59046039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).