N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide

C81H164N6O5 — CID 138548472

IUPACN-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide
SMILESCCCCCCCCCCCCCCN(CCCCN(CCCCCCCCCCCCCC)CC(O)CN(CC(=O)CCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(O)CNCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C81H164N6O5/c1-6-11-16-21-26-31-36-39-44-49-54-59-66-85(73-78(89)70-82-71-80(91)83-64-57-52-47-42-34-29-24-19-14-9-4)68-61-62-69-86(67-60-55-50-45-40-37-32-27-22-17-12-7-2)74-79(90)75-87(72-77(88)63-56-51-46-41-38-33-28-23-18-13-8-3)76-81(92)84-65-58-53-48-43-35-30-25-20-15-10-5/h78-79,82,89-90H,6-76H2,1-5H3,(H,83,91)(H,84,92)
InChIKeyYKPLARWLLLLAKQ-UHFFFAOYSA-N
MW1302.24 g/mol
LogP20.73
Rot. Bonds79

About N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide

N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide (PubChem CID 138548472) has the molecular formula C81H164N6O5 and a molecular weight of 1302.24 g/mol. Its IUPAC name is N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide.

Molecular Properties

Compound NameN-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide
PubChem CID138548472
Molecular FormulaC81H164N6O5
Molecular Weight1302.24 g/mol
Exact Mass1301.28
IUPAC NameN-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide
SMILESCCCCCCCCCCCCCCN(CCCCN(CCCCCCCCCCCCCC)CC(O)CN(CC(=O)CCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(O)CNCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C81H164N6O5/c1-6-11-16-21-26-31-36-39-44-49-54-59-66-85(73-78(89)70-82-71-80(91)83-64-57-52-47-42-34-29-24-19-14-9-4)68-61-62-69-86(67-60-55-50-45-40-37-32-27-22-17-12-7-2)74-79(90)75-87(72-77(88)63-56-51-46-41-38-33-28-23-18-13-8-3)76-81(92)84-65-58-53-48-43-35-30-25-20-15-10-5/h78-79,82,89-90H,6-76H2,1-5H3,(H,83,91)(H,84,92)
InChIKeyYKPLARWLLLLAKQ-UHFFFAOYSA-N
XLogP20.73
TPSA137.48 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds79
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001302.24
LogP ≤ 520.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide with MolForge

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Related Compounds

N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide
CID 146409282
3-[[2-hydroxy-3-[4-[2-hydroxybutyl(tetradecyl)amino]butyl-tetradecylamino]propyl]amino]-N-tetradecylpropanamide
CID 172562238
6-hydroxy-7-[4-[[2-hydroxy-3-[[3-[[(E)-octadec-9-enyl]amino]-3-oxopropyl]amino]propyl]-tetradecylamino]butyl-tetradecylamino]-N-[(E)-octadec-9-enyl]heptanamide
CID 160647766
2-[2-[carboxymethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-[carboxymethyl(2-oxopentadecyl)amino]ethyl]amino]acetic acid
CID 58283801
2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]ethyl-[2-(2-oxopentadecylamino)ethyl]amino]-N-dodecylacetamide
CID 161096659
N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide
CID 137363672
2-[2-[carboxylatomethyl-[2-(octadecylamino)-2-oxoethyl]amino]ethyl-[2-[carboxylatomethyl(2-oxohenicosyl)amino]ethyl]amino]acetate;gadolinium(3+)
CID 161254591
N-[4-[bis(2-hydroxydodecyl)amino]butyl]-3-[4-[bis(2-hydroxydodecyl)amino]butyl-[3-[3-[bis(2-hydroxydodecyl)amino]propylamino]-3-oxopropyl]amino]propanamide
CID 176935587
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethyl-(6-oxononadecyl)amino]-N-dodecylpropanamide
CID 58498189
pentadecyl 4-[[3-[4-[[3-(dibutylamino)-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]butanoate
CID 166813931
2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide
CID 118180371
1-[[2-(dodecylamino)-2-hydroxyethyl]amino]-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propan-2-ol
CID 174384290

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide?
The IUPAC name of N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide (CID 138548472) is N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide.
What is the SMILES notation for N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide?
The canonical SMILES for N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide is CCCCCCCCCCCCCCN(CCCCN(CCCCCCCCCCCCCC)CC(O)CN(CC(=O)CCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(O)CNCC(=O)NCCCCCCCCCCCC.
What is the InChIKey of N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide?
The InChIKey is YKPLARWLLLLAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H164N6O5/c1-6-11-16-21-26-31-36-39-44-49-54-59-66-85(73-78(89)70-82-71-80(91)83-64-57-52-47-42-34-29-24-19-14-9-4)68-61-62-69-86(67-60-55-50-45-40-37-32-27-22-17-12-7-2)74-79(90)75-87(72-77(88)63-56-51-46-41-38-33-28-23-18-13-8-3)76-81(92)84-65-58-53-48-43-35-30-25-20-15-10-5/h78-79,82,89-90H,6-76H2,1-5H3,(H,83,91)(H,84,92).
What are the key properties of N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide?
N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide has a molecular weight of 1302.24 g/mol, XLogP of 20.73, 79 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-[[3-[4-[[3-[[2-(dodecylamino)-2-oxoethyl]-(2-oxopentadecyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]-2-hydroxypropyl]amino]acetamide is sourced from PubChem (CID 138548472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).