N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide

C50H72N10O2 — CID 155064764

IUPACN-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide
SMILESC=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)NCCNCCN(CC)CC)C(CCC(=O)NCCNCCN(CC)CC)=C4C)c(C)c3C=C
InChIInChI=1S/C50H72N10O2/c1-11-37-33(7)41-29-42-35(9)39(17-19-49(61)53-23-21-51-25-27-59(13-3)14-4)47(57-42)32-48-40(18-20-50(62)54-24-22-52-26-28-60(15-5)16-6)36(10)44(58-48)31-46-38(12-2)34(8)43(56-46)30-45(37)55-41/h11-12,29-32,51-52,55-56H,1-2,13-28H2,3-10H3,(H,53,61)(H,54,62)/b41-29-,42-29-,43-30-,44-31-,45-30-,46-31-,47-32-,48-32-
InChIKeyOIOPVQGSEHUCIH-IVXSMFDYSA-N
MW845.19 g/mol
LogP7.73
Rot. Bonds24

About N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide

N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide (PubChem CID 155064764) has the molecular formula C50H72N10O2 and a molecular weight of 845.19 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide
PubChem CID155064764
Molecular FormulaC50H72N10O2
Molecular Weight845.19 g/mol
Exact Mass844.58
IUPAC NameN-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide
SMILESC=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)NCCNCCN(CC)CC)C(CCC(=O)NCCNCCN(CC)CC)=C4C)c(C)c3C=C
InChIInChI=1S/C50H72N10O2/c1-11-37-33(7)41-29-42-35(9)39(17-19-49(61)53-23-21-51-25-27-59(13-3)14-4)47(57-42)32-48-40(18-20-50(62)54-24-22-52-26-28-60(15-5)16-6)36(10)44(58-48)31-46-38(12-2)34(8)43(56-46)30-45(37)55-41/h11-12,29-32,51-52,55-56H,1-2,13-28H2,3-10H3,(H,53,61)(H,54,62)/b41-29-,42-29-,43-30-,44-31-,45-30-,46-31-,47-32-,48-32-
InChIKeyOIOPVQGSEHUCIH-IVXSMFDYSA-N
XLogP7.73
TPSA146.10 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500845.19
LogP ≤ 57.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide with MolForge

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Related Compounds

N-[3-(diethylamino)propyl]-3-[18-[3-[3-(diethylamino)propylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide
CID 21291704
sodium 3-[18-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
CID 23695011
3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-22,23-dihydroporphyrin-2-yl]-N-tetradecylpropanamide
CID 165111147
3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-(3-oxobutyl)-22,23-dihydroporphyrin-2-yl]-N-hexylpropanamide
CID 165000406
3-[18-[3-[4-(dimethylamino)butylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
CID 154679097
2-[3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-22,23-dihydroporphyrin-2-yl]propanoylamino]ethyl-trimethylazanium diacetate
CID 10395775
3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-22,23-dihydroporphyrin-2-yl]propanoic acid
CID 143862753
3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-[3-(methylamino)-3-oxopropyl]-22,23-dihydroporphyrin-2-yl]propanoic acid
CID 155064672
3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]propyl]-22,23-dihydroporphyrin-2-yl]-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
CID 101393501
disilver;3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
CID 87265351
3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;manganese
CID 67092679
calcium 3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
CID 68930646

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide?
The IUPAC name of N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide (CID 155064764) is N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide is C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)NCCNCCN(CC)CC)C(CCC(=O)NCCNCCN(CC)CC)=C4C)c(C)c3C=C.
What is the InChIKey of N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide?
The InChIKey is OIOPVQGSEHUCIH-IVXSMFDYSA-N. The full InChI is InChI=1S/C50H72N10O2/c1-11-37-33(7)41-29-42-35(9)39(17-19-49(61)53-23-21-51-25-27-59(13-3)14-4)47(57-42)32-48-40(18-20-50(62)54-24-22-52-26-28-60(15-5)16-6)36(10)44(58-48)31-46-38(12-2)34(8)43(56-46)30-45(37)55-41/h11-12,29-32,51-52,55-56H,1-2,13-28H2,3-10H3,(H,53,61)(H,54,62)/b41-29-,42-29-,43-30-,44-31-,45-30-,46-31-,47-32-,48-32-.
What are the key properties of N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide?
N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide has a molecular weight of 845.19 g/mol, XLogP of 7.73, 24 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethylamino]ethyl]-3-[18-[3-[2-[2-(diethylamino)ethylamino]ethylamino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide is sourced from PubChem (CID 155064764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).