N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide

C19H27FN2O4 — CID 91779628

IUPACN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
SMILESO=C(CCCN1CCOCC1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C19H27FN2O4/c20-15-3-1-4-16(13-15)26-18-6-10-25-14-17(18)21-19(23)5-2-7-22-8-11-24-12-9-22/h1,3-4,13,17-18H,2,5-12,14H2,(H,21,23)/t17-,18+/m1/s1
InChIKeyONITXSXAGZGKQK-MSOLQXFVSA-N
MW366.43 g/mol
LogP1.59
Rot. Bonds7

About N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide

N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide (PubChem CID 91779628) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
PubChem CID91779628
Molecular FormulaC19H27FN2O4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC NameN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
SMILESO=C(CCCN1CCOCC1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C19H27FN2O4/c20-15-3-1-4-16(13-15)26-18-6-10-25-14-17(18)21-19(23)5-2-7-22-8-11-24-12-9-22/h1,3-4,13,17-18H,2,5-12,14H2,(H,21,23)/t17-,18+/m1/s1
InChIKeyONITXSXAGZGKQK-MSOLQXFVSA-N
XLogP1.59
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide?
The IUPAC name of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide (CID 91779628) is N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide.
What is the SMILES notation for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide?
The canonical SMILES for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide is O=C(CCCN1CCOCC1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide?
The InChIKey is ONITXSXAGZGKQK-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H27FN2O4/c20-15-3-1-4-16(13-15)26-18-6-10-25-14-17(18)21-19(23)5-2-7-22-8-11-24-12-9-22/h1,3-4,13,17-18H,2,5-12,14H2,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide?
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide has a molecular weight of 366.43 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide is sourced from PubChem (CID 91779628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).