2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C20H40N2O6S — CID 139307746

IUPAC2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCCSC(C)(C)CC(=O)NCCOCCOCCOCCNC(=O)OCC(C)C
InChIInChI=1S/C20H40N2O6S/c1-6-29-20(4,5)15-18(23)21-7-9-25-11-13-27-14-12-26-10-8-22-19(24)28-16-17(2)3/h17H,6-16H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyUBUOCXITAJEDOX-UHFFFAOYSA-N
MW436.62 g/mol
LogP2.46
Rot. Bonds18

About 2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate

2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 139307746) has the molecular formula C20H40N2O6S and a molecular weight of 436.62 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID139307746
Molecular FormulaC20H40N2O6S
Molecular Weight436.62 g/mol
Exact Mass436.26
IUPAC Name2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCCSC(C)(C)CC(=O)NCCOCCOCCOCCNC(=O)OCC(C)C
InChIInChI=1S/C20H40N2O6S/c1-6-29-20(4,5)15-18(23)21-7-9-25-11-13-27-14-12-26-10-8-22-19(24)28-16-17(2)3/h17H,6-16H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyUBUOCXITAJEDOX-UHFFFAOYSA-N
XLogP2.46
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentyl N-[2-[2-[2-[2-[(3-methyl-3-methylsulfanylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 139307987
2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate
CID 134572737
2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 126007916
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
3,3-dimethyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 167271345
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2-methylpropoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162349007
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
CID 135224068
2-methylpropyl N-[2-(4-oxopentanoylamino)ethyl]carbamate
CID 108574950
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 139307746) is 2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CCSC(C)(C)CC(=O)NCCOCCOCCOCCNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is UBUOCXITAJEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O6S/c1-6-29-20(4,5)15-18(23)21-7-9-25-11-13-27-14-12-26-10-8-22-19(24)28-16-17(2)3/h17H,6-16H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of 2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 436.62 g/mol, XLogP of 2.46, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 139307746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).