2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide

C26H43N3O7 — CID 170391599

IUPAC2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide
SMILESCC(=O)CCC(C)C(=O)NCCCC(CC=O)NC(=O)C(CCC(C)=O)NC(=O)C(C)CCC(C)=O
InChIInChI=1S/C26H43N3O7/c1-17(8-10-19(3)31)24(34)27-15-6-7-22(14-16-30)28-26(36)23(13-12-21(5)33)29-25(35)18(2)9-11-20(4)32/h16-18,22-23H,6-15H2,1-5H3,(H,27,34)(H,28,36)(H,29,35)
InChIKeyOGYSZDQUAFWBHT-UHFFFAOYSA-N
MW509.64 g/mol
LogP1.82
Rot. Bonds20

About 2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide

2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide (PubChem CID 170391599) has the molecular formula C26H43N3O7 and a molecular weight of 509.64 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide
PubChem CID170391599
Molecular FormulaC26H43N3O7
Molecular Weight509.64 g/mol
Exact Mass509.31
IUPAC Name2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide
SMILESCC(=O)CCC(C)C(=O)NCCCC(CC=O)NC(=O)C(CCC(C)=O)NC(=O)C(C)CCC(C)=O
InChIInChI=1S/C26H43N3O7/c1-17(8-10-19(3)31)24(34)27-15-6-7-22(14-16-30)28-26(36)23(13-12-21(5)33)29-25(35)18(2)9-11-20(4)32/h16-18,22-23H,6-15H2,1-5H3,(H,27,34)(H,28,36)(H,29,35)
InChIKeyOGYSZDQUAFWBHT-UHFFFAOYSA-N
XLogP1.82
TPSA155.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.64
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide with MolForge

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Launch Full Analysis

Related Compounds

ethane;formaldehyde;2-methyl-N-[5-[2-(methylamino)pentanoylamino]-7-oxoheptyl]-5-oxohexanamide
CID 170598079
N-[1-[[1-(2,7-dioxooctan-4-ylamino)-1,5-dioxohexan-2-yl]amino]-1,5-dioxohexan-2-yl]-2-methyl-5-oxohexanamide
CID 170391427
N-[5-[(2-formamido-5-oxohexanoyl)amino]-7-oxooctyl]-2-(methylamino)-5-oxohexanamide;5-(methylamino)hexan-2-one
CID 170597961
3-methyl-4-oxo-4-(6-oxoheptylamino)butanoic acid
CID 129183093
4-(2-methylpentanoylamino)butanoic acid
CID 43209777
N-[6-[2-[[2-(hexadecanoylamino)-5-oxohexanoyl]amino]ethylamino]-2,6-dioxohexan-3-yl]hexadecanamide
CID 59449931
18-[[4-[[1-carboxy-4-oxo-4-(4-oxopentylamino)butyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 138721343
4-(2,4-dimethylpent-4-enoylamino)butanoic acid
CID 120684446
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxopentyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 88946725
N-(2,6-dioxoheptan-3-yl)-4-[[2-[[2-(methylamino)-5-oxohexanoyl]amino]-5-oxohexanoyl]amino]-6-oxoheptanamide
CID 170415565
4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
CID 89197770
18-[[(1S)-1-carboxy-4-[[(5S)-5-methyl-6-[[(5S)-5-methyl-6-oxoheptyl]amino]-6-oxohexyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 118071019

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide?
The IUPAC name of 2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide (CID 170391599) is 2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide?
The canonical SMILES for 2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide is CC(=O)CCC(C)C(=O)NCCCC(CC=O)NC(=O)C(CCC(C)=O)NC(=O)C(C)CCC(C)=O.
What is the InChIKey of 2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide?
The InChIKey is OGYSZDQUAFWBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O7/c1-17(8-10-19(3)31)24(34)27-15-6-7-22(14-16-30)28-26(36)23(13-12-21(5)33)29-25(35)18(2)9-11-20(4)32/h16-18,22-23H,6-15H2,1-5H3,(H,27,34)(H,28,36)(H,29,35).
What are the key properties of 2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide?
2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide has a molecular weight of 509.64 g/mol, XLogP of 1.82, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-[(2-methyl-5-oxohexanoyl)amino]-5-oxohexanoyl]amino]-6-oxohexyl]-5-oxohexanamide is sourced from PubChem (CID 170391599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).