N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide

C12H26N2O4 — CID 54938822

IUPACN-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide
SMILESCCNC(=O)CNCC(O)COCCOC(C)C
InChIInChI=1S/C12H26N2O4/c1-4-14-12(16)8-13-7-11(15)9-17-5-6-18-10(2)3/h10-11,13,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyLITODFPGNGXRGG-UHFFFAOYSA-N
MW262.35 g/mol
LogP-0.49
Rot. Bonds11

About N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide

N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide (PubChem CID 54938822) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide
PubChem CID54938822
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC NameN-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide
SMILESCCNC(=O)CNCC(O)COCCOC(C)C
InChIInChI=1S/C12H26N2O4/c1-4-14-12(16)8-13-7-11(15)9-17-5-6-18-10(2)3/h10-11,13,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyLITODFPGNGXRGG-UHFFFAOYSA-N
XLogP-0.49
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide (CID 54938822) is N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide is CCNC(=O)CNCC(O)COCCOC(C)C.
What is the InChIKey of N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide?
The InChIKey is LITODFPGNGXRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-4-14-12(16)8-13-7-11(15)9-17-5-6-18-10(2)3/h10-11,13,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide?
N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide has a molecular weight of 262.35 g/mol, XLogP of -0.49, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide is sourced from PubChem (CID 54938822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).