N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide

C12H22N2O4 — CID 81130635

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)NCC1(O)CCOCC1
InChIInChI=1S/C12H22N2O4/c15-11(7-10-8-18-6-3-13-10)14-9-12(16)1-4-17-5-2-12/h10,13,16H,1-9H2,(H,14,15)
InChIKeySGQALDVCKPFSSO-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.98
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide (PubChem CID 81130635) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide
PubChem CID81130635
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)NCC1(O)CCOCC1
InChIInChI=1S/C12H22N2O4/c15-11(7-10-8-18-6-3-13-10)14-9-12(16)1-4-17-5-2-12/h10,13,16H,1-9H2,(H,14,15)
InChIKeySGQALDVCKPFSSO-UHFFFAOYSA-N
XLogP-0.98
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[(2-morpholin-3-ylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 81161091
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-morpholin-3-ylacetamide
CID 105417370
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide
CID 56911914
N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 81130731
N-hex-5-ynyl-2-morpholin-3-ylacetamide
CID 106213141
N-(2-methylprop-2-enyl)-2-morpholin-3-ylacetamide
CID 114617037
2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
2-morpholin-3-yl-N-octylacetamide
CID 113337235
N-(2-amino-2-oxoethoxy)-2-morpholin-3-ylacetamide
CID 112674067
2-cyclopropyl-N-(morpholin-3-ylmethyl)acetamide
CID 103548657
N-(2-cyclopentyl-2-methylpropyl)-2-morpholin-3-ylacetamide
CID 115178172

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide (CID 81130635) is N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide is O=C(CC1COCCN1)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide?
The InChIKey is SGQALDVCKPFSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c15-11(7-10-8-18-6-3-13-10)14-9-12(16)1-4-17-5-2-12/h10,13,16H,1-9H2,(H,14,15).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide has a molecular weight of 258.32 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 81130635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).