2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide

C11H22N2O4 — CID 79840477

IUPAC2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCOC(CO)C1
InChIInChI=1S/C11H22N2O4/c1-16-5-2-3-12-11(15)8-13-4-6-17-10(7-13)9-14/h10,14H,2-9H2,1H3,(H,12,15)
InChIKeyOEDBGMKCVDLUAV-UHFFFAOYSA-N
MW246.31 g/mol
LogP-1.17
Rot. Bonds7

About 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide

2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 79840477) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide
PubChem CID79840477
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCOC(CO)C1
InChIInChI=1S/C11H22N2O4/c1-16-5-2-3-12-11(15)8-13-4-6-17-10(7-13)9-14/h10,14H,2-9H2,1H3,(H,12,15)
InChIKeyOEDBGMKCVDLUAV-UHFFFAOYSA-N
XLogP-1.17
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]carbamate
CID 79833806
2-[2-(aminomethyl)morpholin-4-yl]-N-butylacetamide
CID 61485522
2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid
CID 66433883
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxypropyl)acetamide
CID 78787184
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-(2-methoxyethyl)acetamide
CID 102935622
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
2-[2-(aminomethyl)morpholin-4-yl]-N-propylacetamide
CID 61336633
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide (CID 79840477) is 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCOC(CO)C1.
What is the InChIKey of 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is OEDBGMKCVDLUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-16-5-2-3-12-11(15)8-13-4-6-17-10(7-13)9-14/h10,14H,2-9H2,1H3,(H,12,15).
What are the key properties of 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide?
2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 246.31 g/mol, XLogP of -1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 79840477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).