N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide

C13H26N2O3 — CID 59831599

IUPACN-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide
SMILESCC(=O)N(CCN1CCOCC1CO)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-11(17)15(13(2,3)4)6-5-14-7-8-18-10-12(14)9-16/h12,16H,5-10H2,1-4H3
InChIKeyPTZGTPSHKQCXLU-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.33
Rot. Bonds4

About N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide

N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide (PubChem CID 59831599) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide
PubChem CID59831599
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide
SMILESCC(=O)N(CCN1CCOCC1CO)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-11(17)15(13(2,3)4)6-5-14-7-8-18-10-12(14)9-16/h12,16H,5-10H2,1-4H3
InChIKeyPTZGTPSHKQCXLU-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide?
The IUPAC name of N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide (CID 59831599) is N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide is CC(=O)N(CCN1CCOCC1CO)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide?
The InChIKey is PTZGTPSHKQCXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(17)15(13(2,3)4)6-5-14-7-8-18-10-12(14)9-16/h12,16H,5-10H2,1-4H3.
What are the key properties of N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide?
N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]acetamide is sourced from PubChem (CID 59831599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).