N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese

C35H65MnN4O5- — CID 170598024

IUPACN-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese
SMILESCCCC[CH-]CC(=O)CCC(CC(C)=O)NC(=O)CC(CCCNC(=O)CC(C)CCCC)NC(=O)CC(C)CCCNC.[Mn]
InChIInChI=1S/C35H65N4O5.Mn/c1-7-9-11-12-18-32(41)20-19-31(25-29(5)40)39-35(44)26-30(38-34(43)24-28(4)16-13-21-36-6)17-14-22-37-33(42)23-27(3)15-10-8-2;/h12,27-28,30-31,36H,7-11,13-26H2,1-6H3,(H,37,42)(H,38,43)(H,39,44);/q-1;
InChIKeyFTHLRMOFDIWSFO-UHFFFAOYSA-N
MW676.87 g/mol
LogP5.60
Rot. Bonds29

About N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese

N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese (PubChem CID 170598024) has the molecular formula C35H65MnN4O5- and a molecular weight of 676.87 g/mol. Its IUPAC name is N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese.

Molecular Properties

Compound NameN-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese
PubChem CID170598024
Molecular FormulaC35H65MnN4O5-
Molecular Weight676.87 g/mol
Exact Mass676.43
IUPAC NameN-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese
SMILESCCCC[CH-]CC(=O)CCC(CC(C)=O)NC(=O)CC(CCCNC(=O)CC(C)CCCC)NC(=O)CC(C)CCCNC.[Mn]
InChIInChI=1S/C35H65N4O5.Mn/c1-7-9-11-12-18-32(41)20-19-31(25-29(5)40)39-35(44)26-30(38-34(43)24-28(4)16-13-21-36-6)17-14-22-37-33(42)23-27(3)15-10-8-2;/h12,27-28,30-31,36H,7-11,13-26H2,1-6H3,(H,37,42)(H,38,43)(H,39,44);/q-1;
InChIKeyFTHLRMOFDIWSFO-UHFFFAOYSA-N
XLogP5.60
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.87
LogP ≤ 55.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,7-dioxooctan-4-ylamino)-7-(methylamino)-1-oxoheptan-3-yl]-3-methylheptanamide
CID 170598047
N-[1-[[1-[[1-(2,7-dioxooctan-4-ylamino)-6-(methylamino)-1-oxohexan-3-yl]amino]-6-(methylamino)-1-oxohexan-3-yl]amino]-6-(methylamino)-1-oxohexan-3-yl]-3-methyl-6-(methylamino)hexanamide
CID 170597975
N-[4-[3,6-bis[3,6-bis(methylamino)hexanoylamino]hexanoylamino]-6-oxoheptyl]-3,6-bis(methylamino)hexanamide
CID 170415685
3-methyl-N-[1-oxo-1-[[1-oxo-1-[[1-oxo-1-(2-oxononan-4-ylamino)octan-3-yl]amino]octan-3-yl]amino]octan-3-yl]octanamide
CID 170391705
3-[3,7-bis(methylamino)heptanoylamino]-N-[5-[[3-[3,7-bis(methylamino)heptanoylamino]-7-(methylamino)heptanoyl]amino]-7-oxooctyl]octanamide
CID 170598122
3-methyl-N-[1-[[8-[3-(methylamino)pentanoylamino]-2-oxooctan-4-yl]amino]-1,5-dioxohexan-3-yl]-5-oxohexanamide
CID 170598084
N-[1-[[1-(2,6-dioxoheptan-4-ylamino)-6-(methylamino)-1-oxohexan-3-yl]amino]-6-(methylamino)-1-oxohexan-3-yl]-3,6-bis(methylamino)hexanamide
CID 170415525
N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide
CID 170415407
(3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide
CID 88590856
2,6-bis(methylamino)-N-[6-(methylamino)-1-[[6-(methylamino)-1-oxo-1-(2-oxooctan-4-ylamino)hexan-2-yl]amino]-1-oxohexan-2-yl]hexanamide
CID 170598016
3-(methylamino)-N-octan-4-ylpropanamide
CID 106025922
N-(5-amino-4-methylpentyl)hexanamide
CID 57163193

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese?
The IUPAC name of N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese (CID 170598024) is N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese.
What is the SMILES notation for N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese?
The canonical SMILES for N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese is CCCC[CH-]CC(=O)CCC(CC(C)=O)NC(=O)CC(CCCNC(=O)CC(C)CCCC)NC(=O)CC(C)CCCNC.[Mn].
What is the InChIKey of N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese?
The InChIKey is FTHLRMOFDIWSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H65N4O5.Mn/c1-7-9-11-12-18-32(41)20-19-31(25-29(5)40)39-35(44)26-30(38-34(43)24-28(4)16-13-21-36-6)17-14-22-37-33(42)23-27(3)15-10-8-2;/h12,27-28,30-31,36H,7-11,13-26H2,1-6H3,(H,37,42)(H,38,43)(H,39,44);/q-1;.
What are the key properties of N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese?
N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese has a molecular weight of 676.87 g/mol, XLogP of 5.60, 29 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,7-dioxotridecan-4-ylamino)-4-[[3-methyl-6-(methylamino)hexanoyl]amino]-6-oxohexyl]-3-methylheptanamide;manganese is sourced from PubChem (CID 170598024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).