2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide

C64H68N8O4 — CID 11228555

IUPAC2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1-c1c2nc(c(-c3ccccc3NC(=O)C(C)(C)C)c3ccc([nH]3)c(-c3ccccc3NC(=O)C(C)(C)C)c3nc(c(-c4ccccc4NC(=O)C(C)(C)C)c4ccc1[nH]4)CC3)C=C2
InChIInChI=1S/C64H68N8O4/c1-61(2,3)57(73)69-41-25-17-13-21-37(41)53-45-29-31-47(65-45)54(38-22-14-18-26-42(38)70-58(74)62(4,5)6)49-33-35-51(67-49)56(40-24-16-20-28-44(40)72-60(76)64(10,11)12)52-36-34-50(68-52)55(48-32-30-46(53)66-48)39-23-15-19-27-43(39)71-59(75)63(7,8)9/h13-33,35,66-67H,34,36H2,1-12H3,(H,69,73)(H,70,74)(H,71,75)(H,72,76)/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-
InChIKeyHVGSASRRQILBDU-YFLSTINXSA-N
MW1013.30 g/mol
LogP14.88
Rot. Bonds8

About 2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide

2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide (PubChem CID 11228555) has the molecular formula C64H68N8O4 and a molecular weight of 1013.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide
PubChem CID11228555
Molecular FormulaC64H68N8O4
Molecular Weight1013.30 g/mol
Exact Mass1012.54
IUPAC Name2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1-c1c2nc(c(-c3ccccc3NC(=O)C(C)(C)C)c3ccc([nH]3)c(-c3ccccc3NC(=O)C(C)(C)C)c3nc(c(-c4ccccc4NC(=O)C(C)(C)C)c4ccc1[nH]4)CC3)C=C2
InChIInChI=1S/C64H68N8O4/c1-61(2,3)57(73)69-41-25-17-13-21-37(41)53-45-29-31-47(65-45)54(38-22-14-18-26-42(38)70-58(74)62(4,5)6)49-33-35-51(67-49)56(40-24-16-20-28-44(40)72-60(76)64(10,11)12)52-36-34-50(68-52)55(48-32-30-46(53)66-48)39-23-15-19-27-43(39)71-59(75)63(7,8)9/h13-33,35,66-67H,34,36H2,1-12H3,(H,69,73)(H,70,74)(H,71,75)(H,72,76)/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-
InChIKeyHVGSASRRQILBDU-YFLSTINXSA-N
XLogP14.88
TPSA173.76 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001013.30
LogP ≤ 514.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide
CID 174234561
(2S)-N-[2-[10,15,20-tris[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 135409912
titanium;2-[10,15,20-tris(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 157132426
nickel;2-[10,15,20-tris(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 158282965
cis-(1S,2R)-N-[2-[10,20-bis(3,5-ditert-butylphenyl)-15-[2-[[(1S,2R)-2-methyl-2-phenylcyclopropanecarbonyl]amino]-6-[[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]-3-[[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]amino]phenyl]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 166436558
N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 140575218
(1S)-N-[3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diheptyl-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 89250871
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CID 136749684
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CID 122282784
N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide
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CID 162310326
CID 162310326
N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide (CID 11228555) is 2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccccc1-c1c2nc(c(-c3ccccc3NC(=O)C(C)(C)C)c3ccc([nH]3)c(-c3ccccc3NC(=O)C(C)(C)C)c3nc(c(-c4ccccc4NC(=O)C(C)(C)C)c4ccc1[nH]4)CC3)C=C2.
What is the InChIKey of 2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide?
The InChIKey is HVGSASRRQILBDU-YFLSTINXSA-N. The full InChI is InChI=1S/C64H68N8O4/c1-61(2,3)57(73)69-41-25-17-13-21-37(41)53-45-29-31-47(65-45)54(38-22-14-18-26-42(38)70-58(74)62(4,5)6)49-33-35-51(67-49)56(40-24-16-20-28-44(40)72-60(76)64(10,11)12)52-36-34-50(68-52)55(48-32-30-46(53)66-48)39-23-15-19-27-43(39)71-59(75)63(7,8)9/h13-33,35,66-67H,34,36H2,1-12H3,(H,69,73)(H,70,74)(H,71,75)(H,72,76)/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-.
What are the key properties of 2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide?
2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide has a molecular weight of 1013.30 g/mol, XLogP of 14.88, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide is sourced from PubChem (CID 11228555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).