N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide

C33H64N6O8 — CID 170397330

IUPACN-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide
SMILESCON(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNCC(C)(C)C)OC)OC)C(C)=O
InChIInChI=1S/C33H64N6O8/c1-28(40)37(45-5)24-14-9-12-22-35-29(41)18-20-32(44)39(47-7)26-16-10-13-23-36-30(42)17-19-31(43)38(46-6)25-15-8-11-21-34-27-33(2,3)4/h34H,8-27H2,1-7H3,(H,35,41)(H,36,42)
InChIKeySHRDPIYOVBDKOK-UHFFFAOYSA-N
MW672.91 g/mol
LogP3.12
Rot. Bonds28

About N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide

N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide (PubChem CID 170397330) has the molecular formula C33H64N6O8 and a molecular weight of 672.91 g/mol. Its IUPAC name is N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide.

Molecular Properties

Compound NameN-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide
PubChem CID170397330
Molecular FormulaC33H64N6O8
Molecular Weight672.91 g/mol
Exact Mass672.48
IUPAC NameN-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide
SMILESCON(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNCC(C)(C)C)OC)OC)C(C)=O
InChIInChI=1S/C33H64N6O8/c1-28(40)37(45-5)24-14-9-12-22-35-29(41)18-20-32(44)39(47-7)26-16-10-13-23-36-30(42)17-19-31(43)38(46-6)25-15-8-11-21-34-27-33(2,3)4/h34H,8-27H2,1-7H3,(H,35,41)(H,36,42)
InChIKeySHRDPIYOVBDKOK-UHFFFAOYSA-N
XLogP3.12
TPSA158.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.91
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(propylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 101086377
N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide
CID 134441338
N'-[5-[[4-[5-acetamidopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxybutanediamide
CID 10008761
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(hydroxyamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 10257560
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 154585411
methyl 4-(2,2-dimethylpropylamino)butanoate
CID 61168407
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(2-methylhydrazinyl)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 166726509
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;gallane
CID 173092745
N-(5-acetamidopentyl)-N'-[5-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 175363738
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentoxy)butanediamide
CID 87396043
benzyl N-[5-[[4-[5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-phenylmethoxyamino]pentyl]carbamate
CID 118391839
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199

Frequently Asked Questions

What is the IUPAC name of N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide?
The IUPAC name of N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide (CID 170397330) is N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide.
What is the SMILES notation for N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide?
The canonical SMILES for N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide is CON(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNCC(C)(C)C)OC)OC)C(C)=O.
What is the InChIKey of N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide?
The InChIKey is SHRDPIYOVBDKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64N6O8/c1-28(40)37(45-5)24-14-9-12-22-35-29(41)18-20-32(44)39(47-7)26-16-10-13-23-36-30(42)17-19-31(43)38(46-6)25-15-8-11-21-34-27-33(2,3)4/h34H,8-27H2,1-7H3,(H,35,41)(H,36,42).
What are the key properties of N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide?
N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide has a molecular weight of 672.91 g/mol, XLogP of 3.12, 28 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide is sourced from PubChem (CID 170397330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).