4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide

C17H32N2O3S2 — CID 155062879

IUPAC4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide
SMILESCCC(=O)CCNC(=O)CCC(C)(C)SSC(C)(C)CNC(C)=O
InChIInChI=1S/C17H32N2O3S2/c1-7-14(21)9-11-18-15(22)8-10-16(3,4)23-24-17(5,6)12-19-13(2)20/h7-12H2,1-6H3,(H,18,22)(H,19,20)
InChIKeyIBGUYMYOGRXQDM-UHFFFAOYSA-N
MW376.59 g/mol
LogP3.33
Rot. Bonds12

About 4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide

4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide (PubChem CID 155062879) has the molecular formula C17H32N2O3S2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide.

Molecular Properties

Compound Name4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide
PubChem CID155062879
Molecular FormulaC17H32N2O3S2
Molecular Weight376.59 g/mol
Exact Mass376.19
IUPAC Name4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide
SMILESCCC(=O)CCNC(=O)CCC(C)(C)SSC(C)(C)CNC(C)=O
InChIInChI=1S/C17H32N2O3S2/c1-7-14(21)9-11-18-15(22)8-10-16(3,4)23-24-17(5,6)12-19-13(2)20/h7-12H2,1-6H3,(H,18,22)(H,19,20)
InChIKeyIBGUYMYOGRXQDM-UHFFFAOYSA-N
XLogP3.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide
CID 89336031
N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide
CID 178008548
molecular hydrogen;N-(3-oxopentyl)propanamide
CID 142546391
3-acetamido-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103713019
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
methyl 5-[(2-acetamidoacetyl)amino]-3-oxopentanoate
CID 102351837
2-(3-acetamidopropanoylamino)ethylcarbamic acid
CID 19805641
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
4,4-dimethyl-5-oxo-N-propylhexanamide
CID 88908325
3-oxopentylurea
CID 19425945
N-(2-methyl-2-nitrososulfanylpropyl)acetamide
CID 10080907
N-(10-oxododecyl)acetamide
CID 164677162

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide?
The IUPAC name of 4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide (CID 155062879) is 4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide.
What is the SMILES notation for 4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide?
The canonical SMILES for 4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide is CCC(=O)CCNC(=O)CCC(C)(C)SSC(C)(C)CNC(C)=O.
What is the InChIKey of 4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide?
The InChIKey is IBGUYMYOGRXQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S2/c1-7-14(21)9-11-18-15(22)8-10-16(3,4)23-24-17(5,6)12-19-13(2)20/h7-12H2,1-6H3,(H,18,22)(H,19,20).
What are the key properties of 4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide?
4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide has a molecular weight of 376.59 g/mol, XLogP of 3.33, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide is sourced from PubChem (CID 155062879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).