N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide

C70H140N10O6 — CID 170086567

IUPACN-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide
SMILESCCCCCCCCCCCCNC(=O)CN(CCNC(=O)CCN(C)CCN(C)CCC(=O)NCCN(CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C70H140N10O6/c1-7-11-15-19-23-27-31-35-39-43-49-71-67(83)61-79(62-68(84)72-50-44-40-36-32-28-24-20-16-12-8-2)57-53-75-65(81)47-55-77(5)59-60-78(6)56-48-66(82)76-54-58-80(63-69(85)73-51-45-41-37-33-29-25-21-17-13-9-3)64-70(86)74-52-46-42-38-34-30-26-22-18-14-10-4/h7-64H2,1-6H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,75,81)(H,76,82)
InChIKeySODBDQDVJSENNP-UHFFFAOYSA-N
MW1217.95 g/mol
LogP12.61
Rot. Bonds67

About N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide

N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide (PubChem CID 170086567) has the molecular formula C70H140N10O6 and a molecular weight of 1217.95 g/mol. Its IUPAC name is N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide.

Molecular Properties

Compound NameN-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide
PubChem CID170086567
Molecular FormulaC70H140N10O6
Molecular Weight1217.95 g/mol
Exact Mass1217.10
IUPAC NameN-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide
SMILESCCCCCCCCCCCCNC(=O)CN(CCNC(=O)CCN(C)CCN(C)CCC(=O)NCCN(CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C70H140N10O6/c1-7-11-15-19-23-27-31-35-39-43-49-71-67(83)61-79(62-68(84)72-50-44-40-36-32-28-24-20-16-12-8-2)57-53-75-65(81)47-55-77(5)59-60-78(6)56-48-66(82)76-54-58-80(63-69(85)73-51-45-41-37-33-29-25-21-17-13-9-3)64-70(86)74-52-46-42-38-34-30-26-22-18-14-10-4/h7-64H2,1-6H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,75,81)(H,76,82)
InChIKeySODBDQDVJSENNP-UHFFFAOYSA-N
XLogP12.61
TPSA187.56 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds67
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001217.95
LogP ≤ 512.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]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(methyl)amino]-N-pentadecylpropanamide
CID 58040616
2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide
CID 118180371
3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide
CID 58105615
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethyl-propylamino]-N-dodecylacetamide
CID 138548504
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-(dodecylamino)-2-oxoethyl]-methylamino]ethyl]amino]acetic acid
CID 88945107
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
2-(dimethylamino)-N-octadecylacetamide;ethane
CID 90860669
undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate
CID 168851315

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide?
The IUPAC name of N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide (CID 170086567) is N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide.
What is the SMILES notation for N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide?
The canonical SMILES for N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide is CCCCCCCCCCCCNC(=O)CN(CCNC(=O)CCN(C)CCN(C)CCC(=O)NCCN(CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC.
What is the InChIKey of N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide?
The InChIKey is SODBDQDVJSENNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H140N10O6/c1-7-11-15-19-23-27-31-35-39-43-49-71-67(83)61-79(62-68(84)72-50-44-40-36-32-28-24-20-16-12-8-2)57-53-75-65(81)47-55-77(5)59-60-78(6)56-48-66(82)76-54-58-80(63-69(85)73-51-45-41-37-33-29-25-21-17-13-9-3)64-70(86)74-52-46-42-38-34-30-26-22-18-14-10-4/h7-64H2,1-6H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,75,81)(H,76,82).
What are the key properties of N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide?
N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide has a molecular weight of 1217.95 g/mol, XLogP of 12.61, 67 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide is sourced from PubChem (CID 170086567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).