N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide

C24H48N2O4S2 — CID 146510269

IUPACN-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide
SMILESCC(C)CCOC(C)(C)CNC(=O)CCSSCCC(=O)NCC(C)(C)OCCC(C)C
InChIInChI=1S/C24H48N2O4S2/c1-19(2)9-13-29-23(5,6)17-25-21(27)11-15-31-32-16-12-22(28)26-18-24(7,8)30-14-10-20(3)4/h19-20H,9-18H2,1-8H3,(H,25,27)(H,26,28)
InChIKeyYYMKMZOWNFTWOI-UHFFFAOYSA-N
MW492.79 g/mol
LogP5.06
Rot. Bonds19

About N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide

N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide (PubChem CID 146510269) has the molecular formula C24H48N2O4S2 and a molecular weight of 492.79 g/mol. Its IUPAC name is N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide
PubChem CID146510269
Molecular FormulaC24H48N2O4S2
Molecular Weight492.79 g/mol
Exact Mass492.31
IUPAC NameN-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide
SMILESCC(C)CCOC(C)(C)CNC(=O)CCSSCCC(=O)NCC(C)(C)OCCC(C)C
InChIInChI=1S/C24H48N2O4S2/c1-19(2)9-13-29-23(5,6)17-25-21(27)11-15-31-32-16-12-22(28)26-18-24(7,8)30-14-10-20(3)4/h19-20H,9-18H2,1-8H3,(H,25,27)(H,26,28)
InChIKeyYYMKMZOWNFTWOI-UHFFFAOYSA-N
XLogP5.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.79
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethyldisulfanyl)ethyl]-3-methyl-3-(3-methylbutoxy)butanamide;methanol
CID 178164257
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
ethane;3-hydroxy-N-[2-methyl-2-[3-methyl-3-(3-oxobutoxy)butoxy]propyl]propanamide;2-(3-methylbutoxy)ethanol
CID 143506852
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
S-[3-[[2-methyl-2-[3-methyl-3-(3-oxobutoxy)butoxy]propyl]amino]-3-oxopropyl] ethanethioate
CID 166977674
[(8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-methyl-2-(3-methylbutoxy)propyl]carbamate
CID 166663728
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
N-(2-ethoxy-2-methylpropyl)butanamide
CID 114944319
N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol
CID 165116641
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
CID 114942376
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide?
The IUPAC name of N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide (CID 146510269) is N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide.
What is the SMILES notation for N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide?
The canonical SMILES for N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide is CC(C)CCOC(C)(C)CNC(=O)CCSSCCC(=O)NCC(C)(C)OCCC(C)C.
What is the InChIKey of N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide?
The InChIKey is YYMKMZOWNFTWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O4S2/c1-19(2)9-13-29-23(5,6)17-25-21(27)11-15-31-32-16-12-22(28)26-18-24(7,8)30-14-10-20(3)4/h19-20H,9-18H2,1-8H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide?
N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide has a molecular weight of 492.79 g/mol, XLogP of 5.06, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide is sourced from PubChem (CID 146510269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).