3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide

C52H104N6O4 — CID 91069393

IUPAC3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
SMILESCCC(C)(C)CC(C)(C)CNC(=O)CCN(CCCN(CCC(=O)NCC(C)(C)CC(C)(C)C)CCC(=O)NCC(C)(C)CC(C)(C)C)CCC(=O)NCC(C)(C)CC(C)(C)C
InChIInChI=1S/C52H104N6O4/c1-21-48(11,12)36-52(19,20)40-56-44(62)26-32-58(31-25-43(61)55-39-51(17,18)35-47(8,9)10)28-22-27-57(29-23-41(59)53-37-49(13,14)33-45(2,3)4)30-24-42(60)54-38-50(15,16)34-46(5,6)7/h21-40H2,1-20H3,(H,53,59)(H,54,60)(H,55,61)(H,56,62)
InChIKeyWWUPDUZJAABSQI-UHFFFAOYSA-N
MW877.44 g/mol
LogP10.25
Rot. Bonds30

About 3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide

3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide (PubChem CID 91069393) has the molecular formula C52H104N6O4 and a molecular weight of 877.44 g/mol. Its IUPAC name is 3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide.

Molecular Properties

Compound Name3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
PubChem CID91069393
Molecular FormulaC52H104N6O4
Molecular Weight877.44 g/mol
Exact Mass876.81
IUPAC Name3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
SMILESCCC(C)(C)CC(C)(C)CNC(=O)CCN(CCCN(CCC(=O)NCC(C)(C)CC(C)(C)C)CCC(=O)NCC(C)(C)CC(C)(C)C)CCC(=O)NCC(C)(C)CC(C)(C)C
InChIInChI=1S/C52H104N6O4/c1-21-48(11,12)36-52(19,20)40-56-44(62)26-32-58(31-25-43(61)55-39-51(17,18)35-47(8,9)10)28-22-27-57(29-23-41(59)53-37-49(13,14)33-45(2,3)4)30-24-42(60)54-38-50(15,16)34-46(5,6)7/h21-40H2,1-20H3,(H,53,59)(H,54,60)(H,55,61)(H,56,62)
InChIKeyWWUPDUZJAABSQI-UHFFFAOYSA-N
XLogP10.25
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.44
LogP ≤ 510.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide with MolForge

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Related Compounds

Eth 5282
CID 195517
N-(6-Amino-2,2,4(or2,4,4)-trimethylhexyl)-3-((6-amino-2,2,4(or2,4,4)-trimethylhexyl)amino)propionamide, mono(2-cyanoethyl) derivative
CID 56842696
N-Heptyl-N'-(6-(6-[2-(heptyl-methyl-carbamoyl)-acetylamino]-hexylamino)-hexyl)-N-methyl-malonamide
CID 541918
3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide
CID 3839560
2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide
CID 20759424
2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide
CID 20759426
3-(dipropylamino)-N-(2-ethylhexyl)propanamide
CID 23363411
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46240569
3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 46240673
3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 46240872
3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 58105406
3-[3-[bis[3-(hexadecylamino)-3-oxopropyl]amino]propyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide
CID 58105601

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide?
The IUPAC name of 3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide (CID 91069393) is 3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide.
What is the SMILES notation for 3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide?
The canonical SMILES for 3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide is CCC(C)(C)CC(C)(C)CNC(=O)CCN(CCCN(CCC(=O)NCC(C)(C)CC(C)(C)C)CCC(=O)NCC(C)(C)CC(C)(C)C)CCC(=O)NCC(C)(C)CC(C)(C)C.
What is the InChIKey of 3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide?
The InChIKey is WWUPDUZJAABSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H104N6O4/c1-21-48(11,12)36-52(19,20)40-56-44(62)26-32-58(31-25-43(61)55-39-51(17,18)35-47(8,9)10)28-22-27-57(29-23-41(59)53-37-49(13,14)33-45(2,3)4)30-24-42(60)54-38-50(15,16)34-46(5,6)7/h21-40H2,1-20H3,(H,53,59)(H,54,60)(H,55,61)(H,56,62).
What are the key properties of 3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide?
3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide has a molecular weight of 877.44 g/mol, XLogP of 10.25, 30 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide is sourced from PubChem (CID 91069393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).