3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide

C66H130N6O8 — CID 176741173

IUPAC3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
SMILESCCCCCCCCCCCCNC(=O)C(O)CN(CC(O)C(=O)NCCCCCCCCCCCC)C1CCC(N(CC(O)C(=O)NCCCCCCCCCCCC)CC(O)C(=O)NCCCCCCCCCCCC)CC1
InChIInChI=1S/C66H130N6O8/c1-5-9-13-17-21-25-29-33-37-41-49-67-63(77)59(73)53-71(54-60(74)64(78)68-50-42-38-34-30-26-22-18-14-10-6-2)57-45-47-58(48-46-57)72(55-61(75)65(79)69-51-43-39-35-31-27-23-19-15-11-7-3)56-62(76)66(80)70-52-44-40-36-32-28-24-20-16-12-8-4/h57-62,73-76H,5-56H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)
InChIKeyDRPRCLSRMNSHRV-UHFFFAOYSA-N
MW1135.80 g/mol
LogP12.49
Rot. Bonds58

About 3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide

3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide (PubChem CID 176741173) has the molecular formula C66H130N6O8 and a molecular weight of 1135.80 g/mol. Its IUPAC name is 3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
PubChem CID176741173
Molecular FormulaC66H130N6O8
Molecular Weight1135.80 g/mol
Exact Mass1135.00
IUPAC Name3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
SMILESCCCCCCCCCCCCNC(=O)C(O)CN(CC(O)C(=O)NCCCCCCCCCCCC)C1CCC(N(CC(O)C(=O)NCCCCCCCCCCCC)CC(O)C(=O)NCCCCCCCCCCCC)CC1
InChIInChI=1S/C66H130N6O8/c1-5-9-13-17-21-25-29-33-37-41-49-67-63(77)59(73)53-71(54-60(74)64(78)68-50-42-38-34-30-26-22-18-14-10-6-2)57-45-47-58(48-46-57)72(55-61(75)65(79)69-51-43-39-35-31-27-23-19-15-11-7-3)56-62(76)66(80)70-52-44-40-36-32-28-24-20-16-12-8-4/h57-62,73-76H,5-56H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)
InChIKeyDRPRCLSRMNSHRV-UHFFFAOYSA-N
XLogP12.49
TPSA203.80 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds58
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.80
LogP ≤ 512.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide with MolForge

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Related Compounds

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CID 172845175
3-[3-[4-[3-[bis[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]propyl]piperazin-1-yl]propyl-[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]-N-decyl-2-hydroxypropanamide
CID 176741157
3-[3-[bis[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2-hydroxyethyl)amino]-N-decyl-2-hydroxypropanamide
CID 177295729
3-[3-[bis(2-hydroxyethyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 177295772
3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2-hydroxyethyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 176644700
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
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CID 161206779
3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 176644819
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate
CID 62027223
2-amino-3-hydroxy-N-octylbutanamide
CID 90110768

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide?
The IUPAC name of 3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide (CID 176741173) is 3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide.
What is the SMILES notation for 3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide?
The canonical SMILES for 3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide is CCCCCCCCCCCCNC(=O)C(O)CN(CC(O)C(=O)NCCCCCCCCCCCC)C1CCC(N(CC(O)C(=O)NCCCCCCCCCCCC)CC(O)C(=O)NCCCCCCCCCCCC)CC1.
What is the InChIKey of 3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide?
The InChIKey is DRPRCLSRMNSHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H130N6O8/c1-5-9-13-17-21-25-29-33-37-41-49-67-63(77)59(73)53-71(54-60(74)64(78)68-50-42-38-34-30-26-22-18-14-10-6-2)57-45-47-58(48-46-57)72(55-61(75)65(79)69-51-43-39-35-31-27-23-19-15-11-7-3)56-62(76)66(80)70-52-44-40-36-32-28-24-20-16-12-8-4/h57-62,73-76H,5-56H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80).
What are the key properties of 3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide?
3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide has a molecular weight of 1135.80 g/mol, XLogP of 12.49, 58 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide is sourced from PubChem (CID 176741173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).