3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide

C74H122N12O2 — CID 21023882

About 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide

3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide (PubChem CID 21023882) has the molecular formula C74H122N12O2 and a molecular weight of 1211.87 g/mol. Its IUPAC name is 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide.

Molecular Properties

• Compound Name: 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide
• PubChem CID: 21023882
• Molecular Formula: C74H122N12O2
• Molecular Weight: 1211.87 g/mol
• Exact Mass: 1210.98
• IUPAC Name: 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide
• SMILES: CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)N(CC)CCCCN(C)CC1CC1CN(C)CCCCN(C)CC)C(CCC(=O)N(CC)CCCCN(C)CC1CC1CN(C)CCCCN(C)CC)=C4C)c(C)c3CC
• InChI: InChI=1S/C74H122N12O2/c1-17-61-53(7)65-45-66-55(9)63(31-33-73(87)85(21-5)41-29-27-39-83(15)51-59-43-57(59)49-81(13)37-25-23-35-79(11)19-3)71(77-66)48-72-64(56(10)68(78-72)47-70-62(18-2)54(8)67(76-70)46-69(61)75-65)32-34-74(88)86(22-6)42-30-28-40-84(16)52-60-44-58(60)50-82(14)38-26-24-36-80(12)20-4/h45-48,57-60,75-76H,17-44,49-52H2,1-16H3/b65-45-,66-45-,67-46-,68-47-,69-46-,70-47-,71-48-,72-48-
• InChIKey: DZTKGDZCOZEQMA-ZIPCALDISA-N
• XLogP: 13.20
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 40
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1211.87
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide?

The IUPAC name of 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide (CID 21023882) is 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide.

What is the SMILES notation for 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide?

The canonical SMILES for 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide is CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)N(CC)CCCCN(C)CC1CC1CN(C)CCCCN(C)CC)C(CCC(=O)N(CC)CCCCN(C)CC1CC1CN(C)CCCCN(C)CC)=C4C)c(C)c3CC.

What is the InChIKey of 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide?

The InChIKey is DZTKGDZCOZEQMA-ZIPCALDISA-N. The full InChI is InChI=1S/C74H122N12O2/c1-17-61-53(7)65-45-66-55(9)63(31-33-73(87)85(21-5)41-29-27-39-83(15)51-59-43-57(59)49-81(13)37-25-23-35-79(11)19-3)71(77-66)48-72-64(56(10)68(78-72)47-70-62(18-2)54(8)67(76-70)46-69(61)75-65)32-34-74(88)86(22-6)42-30-28-40-84(16)52-60-44-58(60)50-82(14)38-26-24-36-80(12)20-4/h45-48,57-60,75-76H,17-44,49-52H2,1-16H3/b65-45-,66-45-,67-46-,68-47-,69-46-,70-47-,71-48-,72-48-.

What are the key properties of 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide?

3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide has a molecular weight of 1211.87 g/mol, XLogP of 13.20, 40 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8,13-diethyl-18-[3-[ethyl-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[[2-[[4-[ethyl(methyl)amino]butyl-methylamino]methyl]cyclopropyl]methyl-methylamino]butyl]propanamide is sourced from PubChem (CID 21023882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).