(2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide

C103H176N8O8 — CID 177479169

IUPAC(2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)COc1c2nc(c(O[C@H](C)C(=O)NCCCCCCCCCCCCCCCCCC)c3nc(c(O[C@H](C)C(=O)NCCCCCCCCCCCCCCCCCC)c4ccc([nH]4)c(O[C@H](C)C(=O)NCCCCCCCCCCCCCCCCCC)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C103H176N8O8/c1-8-12-16-20-24-28-32-36-40-44-48-52-56-60-64-68-80-104-96(112)84-116-97-88-72-74-90(108-88)98(117-85(5)101(113)105-81-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-2)92-76-78-94(110-92)100(119-87(7)103(115)107-83-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-4)95-79-77-93(111-95)99(91-75-73-89(97)109-91)118-86(6)102(114)106-82-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-3/h72-79,85-87,108,110H,8-71,80-84H2,1-7H3,(H,104,112)(H,105,113)(H,106,114)(H,107,115)/b97-88+,97-89+,98-90+,98-92+,99-91+,99-93+,100-94+,100-95+/t85-,86-,87-/m1/s1
InChIKeyCOMBYMOQHPICIJ-UOJKGGLSSA-N
MW1654.59 g/mol
LogP28.85
Rot. Bonds80

About (2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide

(2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide (PubChem CID 177479169) has the molecular formula C103H176N8O8 and a molecular weight of 1654.59 g/mol. Its IUPAC name is (2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide.

Molecular Properties

Compound Name(2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide
PubChem CID177479169
Molecular FormulaC103H176N8O8
Molecular Weight1654.59 g/mol
Exact Mass1653.36
IUPAC Name(2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)COc1c2nc(c(O[C@H](C)C(=O)NCCCCCCCCCCCCCCCCCC)c3nc(c(O[C@H](C)C(=O)NCCCCCCCCCCCCCCCCCC)c4ccc([nH]4)c(O[C@H](C)C(=O)NCCCCCCCCCCCCCCCCCC)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C103H176N8O8/c1-8-12-16-20-24-28-32-36-40-44-48-52-56-60-64-68-80-104-96(112)84-116-97-88-72-74-90(108-88)98(117-85(5)101(113)105-81-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-2)92-76-78-94(110-92)100(119-87(7)103(115)107-83-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-4)95-79-77-93(111-95)99(91-75-73-89(97)109-91)118-86(6)102(114)106-82-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-3/h72-79,85-87,108,110H,8-71,80-84H2,1-7H3,(H,104,112)(H,105,113)(H,106,114)(H,107,115)/b97-88+,97-89+,98-90+,98-92+,99-91+,99-93+,100-94+,100-95+/t85-,86-,87-/m1/s1
InChIKeyCOMBYMOQHPICIJ-UOJKGGLSSA-N
XLogP28.85
TPSA210.68 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds80
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001654.59
LogP ≤ 528.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide with MolForge

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Related Compounds

1-dodecyl-3-[3-[[10,15,20-tris[3-(dodecylcarbamoylamino)propoxy]-21,22-dihydroporphyrin-5-yl]oxy]propyl]urea
CID 101377765
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
N-butyl-2-(9H-carbazol-2-yloxy)acetamide
CID 7714244
2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide
CID 102396045
N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
CID 175959027
2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide
CID 21015740
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide
CID 70960358
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748

Frequently Asked Questions

What is the IUPAC name of (2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide?
The IUPAC name of (2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide (CID 177479169) is (2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide.
What is the SMILES notation for (2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide?
The canonical SMILES for (2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide is CCCCCCCCCCCCCCCCCCNC(=O)COc1c2nc(c(O[C@H](C)C(=O)NCCCCCCCCCCCCCCCCCC)c3nc(c(O[C@H](C)C(=O)NCCCCCCCCCCCCCCCCCC)c4ccc([nH]4)c(O[C@H](C)C(=O)NCCCCCCCCCCCCCCCCCC)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of (2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide?
The InChIKey is COMBYMOQHPICIJ-UOJKGGLSSA-N. The full InChI is InChI=1S/C103H176N8O8/c1-8-12-16-20-24-28-32-36-40-44-48-52-56-60-64-68-80-104-96(112)84-116-97-88-72-74-90(108-88)98(117-85(5)101(113)105-81-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-2)92-76-78-94(110-92)100(119-87(7)103(115)107-83-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-4)95-79-77-93(111-95)99(91-75-73-89(97)109-91)118-86(6)102(114)106-82-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-3/h72-79,85-87,108,110H,8-71,80-84H2,1-7H3,(H,104,112)(H,105,113)(H,106,114)(H,107,115)/b97-88+,97-89+,98-90+,98-92+,99-91+,99-93+,100-94+,100-95+/t85-,86-,87-/m1/s1.
What are the key properties of (2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide?
(2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide has a molecular weight of 1654.59 g/mol, XLogP of 28.85, 80 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-octadecyl-2-[[10-[2-(octadecylamino)-2-oxoethoxy]-15,20-bis[[(2R)-1-(octadecylamino)-1-oxopropan-2-yl]oxy]-21,22-dihydroporphyrin-5-yl]oxy]propanamide is sourced from PubChem (CID 177479169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).