(2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide

C16H33N3O6S — CID 59602859

IUPAC(2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide
SMILESCCOCCOCCOCCOCCNC(=O)CSC[C@H](NC)C(N)=O
InChIInChI=1S/C16H33N3O6S/c1-3-22-6-7-24-10-11-25-9-8-23-5-4-19-15(20)13-26-12-14(18-2)16(17)21/h14,18H,3-13H2,1-2H3,(H2,17,21)(H,19,20)/t14-/m0/s1
InChIKeyYZRDLKHUZWAADF-AWEZNQCLSA-N
MW395.52 g/mol
LogP-1.00
Rot. Bonds19

About (2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide

(2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide (PubChem CID 59602859) has the molecular formula C16H33N3O6S and a molecular weight of 395.52 g/mol. Its IUPAC name is (2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide
PubChem CID59602859
Molecular FormulaC16H33N3O6S
Molecular Weight395.52 g/mol
Exact Mass395.21
IUPAC Name(2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide
SMILESCCOCCOCCOCCOCCNC(=O)CSC[C@H](NC)C(N)=O
InChIInChI=1S/C16H33N3O6S/c1-3-22-6-7-24-10-11-25-9-8-23-5-4-19-15(20)13-26-12-14(18-2)16(17)21/h14,18H,3-13H2,1-2H3,(H2,17,21)(H,19,20)/t14-/m0/s1
InChIKeyYZRDLKHUZWAADF-AWEZNQCLSA-N
XLogP-1.00
TPSA121.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide?
The IUPAC name of (2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide (CID 59602859) is (2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide.
What is the SMILES notation for (2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide?
The canonical SMILES for (2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide is CCOCCOCCOCCOCCNC(=O)CSC[C@H](NC)C(N)=O.
What is the InChIKey of (2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide?
The InChIKey is YZRDLKHUZWAADF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H33N3O6S/c1-3-22-6-7-24-10-11-25-9-8-23-5-4-19-15(20)13-26-12-14(18-2)16(17)21/h14,18H,3-13H2,1-2H3,(H2,17,21)(H,19,20)/t14-/m0/s1.
What are the key properties of (2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide?
(2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide has a molecular weight of 395.52 g/mol, XLogP of -1.00, 19 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide is sourced from PubChem (CID 59602859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).