2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide

C52H105N7O4 — CID 175717658

IUPAC2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide
SMILESCCCCCCCCCCCCNC(=O)CCNCCN(CCC(=O)NCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)C(C)C(N)=O
InChIInChI=1S/C52H105N7O4/c1-5-8-11-14-17-20-23-26-29-32-38-55-49(60)35-41-54-42-45-58(43-36-50(61)56-39-33-30-27-24-21-18-15-12-9-6-2)46-47-59(48(4)52(53)63)44-37-51(62)57-40-34-31-28-25-22-19-16-13-10-7-3/h48,54H,5-47H2,1-4H3,(H2,53,63)(H,55,60)(H,56,61)(H,57,62)
InChIKeyXJKSISXPRQDRDO-UHFFFAOYSA-N
MW892.46 g/mol
LogP10.34
Rot. Bonds50

About 2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide

2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide (PubChem CID 175717658) has the molecular formula C52H105N7O4 and a molecular weight of 892.46 g/mol. Its IUPAC name is 2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide.

Molecular Properties

Compound Name2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide
PubChem CID175717658
Molecular FormulaC52H105N7O4
Molecular Weight892.46 g/mol
Exact Mass891.82
IUPAC Name2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide
SMILESCCCCCCCCCCCCNC(=O)CCNCCN(CCC(=O)NCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)C(C)C(N)=O
InChIInChI=1S/C52H105N7O4/c1-5-8-11-14-17-20-23-26-29-32-38-55-49(60)35-41-54-42-45-58(43-36-50(61)56-39-33-30-27-24-21-18-15-12-9-6-2)46-47-59(48(4)52(53)63)44-37-51(62)57-40-34-31-28-25-22-19-16-13-10-7-3/h48,54H,5-47H2,1-4H3,(H2,53,63)(H,55,60)(H,56,61)(H,57,62)
InChIKeyXJKSISXPRQDRDO-UHFFFAOYSA-N
XLogP10.34
TPSA148.90 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds50
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.46
LogP ≤ 510.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide with MolForge

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Related Compounds

3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide
CID 160990447
3-[2-[bis(2-hydroxyethyl)amino]ethylamino]-N-pentadecylpropanamide;3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 161095929
3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane
CID 158556513
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
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
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-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethylamino]ethyl-(3-oxohexadecyl)amino]-N-dodecylpropanamide
CID 158384217
3-[2-[2-[2-[bis(3-oxohexadecyl)amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 159136104
N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide
CID 58105699
3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide
CID 160695132

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide?
The IUPAC name of 2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide (CID 175717658) is 2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide.
What is the SMILES notation for 2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide?
The canonical SMILES for 2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide is CCCCCCCCCCCCNC(=O)CCNCCN(CCC(=O)NCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)C(C)C(N)=O.
What is the InChIKey of 2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide?
The InChIKey is XJKSISXPRQDRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H105N7O4/c1-5-8-11-14-17-20-23-26-29-32-38-55-49(60)35-41-54-42-45-58(43-36-50(61)56-39-33-30-27-24-21-18-15-12-9-6-2)46-47-59(48(4)52(53)63)44-37-51(62)57-40-34-31-28-25-22-19-16-13-10-7-3/h48,54H,5-47H2,1-4H3,(H2,53,63)(H,55,60)(H,56,61)(H,57,62).
What are the key properties of 2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide?
2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide has a molecular weight of 892.46 g/mol, XLogP of 10.34, 50 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide is sourced from PubChem (CID 175717658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).