N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide

C17H24N2O5 — CID 91764139

IUPACN-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)N1CCOCC1
InChIInChI=1S/C17H24N2O5/c20-11-13-1-3-14(4-2-13)24-16-12-23-8-5-15(16)18-17(21)19-6-9-22-10-7-19/h1-4,15-16,20H,5-12H2,(H,18,21)/t15-,16-/m1/s1
InChIKeyNLBKOWJYFNXVBJ-HZPDHXFCSA-N
MW336.39 g/mol
LogP0.76
Rot. Bonds4

About N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide

N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide (PubChem CID 91764139) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide
PubChem CID91764139
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC NameN-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)N1CCOCC1
InChIInChI=1S/C17H24N2O5/c20-11-13-1-3-14(4-2-13)24-16-12-23-8-5-15(16)18-17(21)19-6-9-22-10-7-19/h1-4,15-16,20H,5-12H2,(H,18,21)/t15-,16-/m1/s1
InChIKeyNLBKOWJYFNXVBJ-HZPDHXFCSA-N
XLogP0.76
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]morpholine-4-carboxamide
CID 91785022
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]cycloheptanecarboxamide
CID 91771255
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide
CID 91769243
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 91761760
2-amino-N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-6-methylpyrimidine-4-carboxamide
CID 91829216
4-[(3S,4R)-4-[[4-(hydroxymethyl)pyridine-2-carbonyl]amino]oxan-3-yl]oxybenzoic acid
CID 91774592
N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide
CID 91767933
4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
CID 91785748
4-[(3S,4R)-4-(4,4,4-trifluorobutanoylamino)oxan-3-yl]oxybenzoic acid
CID 91779540
N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-5-methylthiophene-2-carboxamide
CID 91785262
N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]morpholine-4-carboxamide
CID 11886493
4-[(3S,4R)-4-(3-methylsulfanylpropanoylamino)oxan-3-yl]oxybenzamide
CID 91797995

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide (CID 91764139) is N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide is O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)N1CCOCC1.
What is the InChIKey of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide?
The InChIKey is NLBKOWJYFNXVBJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H24N2O5/c20-11-13-1-3-14(4-2-13)24-16-12-23-8-5-15(16)18-17(21)19-6-9-22-10-7-19/h1-4,15-16,20H,5-12H2,(H,18,21)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide?
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide is sourced from PubChem (CID 91764139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).