N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide

C64H100N14O4 — CID 44564289

IUPACN-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide
SMILESC=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)NCCCCC(=O)N(CCCN)CCCCNCCCN)C(CCC(=O)NCCCCC(=O)N(CCCN)CCCCNCCCN)=C4C)c(C)c3C=C
InChIInChI=1S/C64H100N14O4/c1-7-49-45(3)53-41-54-47(5)51(23-25-61(79)71-35-11-9-21-63(81)77(39-19-29-67)37-15-13-31-69-33-17-27-65)59(75-54)44-60-52(48(6)56(76-60)43-58-50(8-2)46(4)55(74-58)42-57(49)73-53)24-26-62(80)72-36-12-10-22-64(82)78(40-20-30-68)38-16-14-32-70-34-18-28-66/h7-8,41-44,69-70,73-74H,1-2,9-40,65-68H2,3-6H3,(H,71,79)(H,72,80)/b53-41-,54-41-,55-42-,56-43-,57-42-,58-43-,59-44-,60-44-
InChIKeyJSIBNPGAHWPTCN-KUADXKIXSA-N
MW1129.60 g/mol
LogP8.00
Rot. Bonds40

About N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide

N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide (PubChem CID 44564289) has the molecular formula C64H100N14O4 and a molecular weight of 1129.60 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide
PubChem CID44564289
Molecular FormulaC64H100N14O4
Molecular Weight1129.60 g/mol
Exact Mass1128.81
IUPAC NameN-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide
SMILESC=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)NCCCCC(=O)N(CCCN)CCCCNCCCN)C(CCC(=O)NCCCCC(=O)N(CCCN)CCCCNCCCN)=C4C)c(C)c3C=C
InChIInChI=1S/C64H100N14O4/c1-7-49-45(3)53-41-54-47(5)51(23-25-61(79)71-35-11-9-21-63(81)77(39-19-29-67)37-15-13-31-69-33-17-27-65)59(75-54)44-60-52(48(6)56(76-60)43-58-50(8-2)46(4)55(74-58)42-57(49)73-53)24-26-62(80)72-36-12-10-22-64(82)78(40-20-30-68)38-16-14-32-70-34-18-28-66/h7-8,41-44,69-70,73-74H,1-2,9-40,65-68H2,3-6H3,(H,71,79)(H,72,80)/b53-41-,54-41-,55-42-,56-43-,57-42-,58-43-,59-44-,60-44-
InChIKeyJSIBNPGAHWPTCN-KUADXKIXSA-N
XLogP8.00
TPSA284.32 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds40
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001129.60
LogP ≤ 58.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide?
The IUPAC name of N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide (CID 44564289) is N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide?
The canonical SMILES for N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide is C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)NCCCCC(=O)N(CCCN)CCCCNCCCN)C(CCC(=O)NCCCCC(=O)N(CCCN)CCCCNCCCN)=C4C)c(C)c3C=C.
What is the InChIKey of N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide?
The InChIKey is JSIBNPGAHWPTCN-KUADXKIXSA-N. The full InChI is InChI=1S/C64H100N14O4/c1-7-49-45(3)53-41-54-47(5)51(23-25-61(79)71-35-11-9-21-63(81)77(39-19-29-67)37-15-13-31-69-33-17-27-65)59(75-54)44-60-52(48(6)56(76-60)43-58-50(8-2)46(4)55(74-58)42-57(49)73-53)24-26-62(80)72-36-12-10-22-64(82)78(40-20-30-68)38-16-14-32-70-34-18-28-66/h7-8,41-44,69-70,73-74H,1-2,9-40,65-68H2,3-6H3,(H,71,79)(H,72,80)/b53-41-,54-41-,55-42-,56-43-,57-42-,58-43-,59-44-,60-44-.
What are the key properties of N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide?
N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide has a molecular weight of 1129.60 g/mol, XLogP of 8.00, 40 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-5-[3-[18-[3-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]pentanamide is sourced from PubChem (CID 44564289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).