N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide

C19H25F2NO3 — CID 91767604

IUPACN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1F)N[C@@H]1CCOC[C@H]1OCC1CCC1
InChIInChI=1S/C19H25F2NO3/c20-15-6-4-14(16(21)10-15)5-7-19(23)22-17-8-9-24-12-18(17)25-11-13-2-1-3-13/h4,6,10,13,17-18H,1-3,5,7-9,11-12H2,(H,22,23)/t17-,18-/m1/s1
InChIKeyDPOCQIZMIRALJJ-QZTJIDSGSA-N
MW353.41 g/mol
LogP2.99
Rot. Bonds7

About N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide

N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide (PubChem CID 91767604) has the molecular formula C19H25F2NO3 and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide
PubChem CID91767604
Molecular FormulaC19H25F2NO3
Molecular Weight353.41 g/mol
Exact Mass353.18
IUPAC NameN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1F)N[C@@H]1CCOC[C@H]1OCC1CCC1
InChIInChI=1S/C19H25F2NO3/c20-15-6-4-14(16(21)10-15)5-7-19(23)22-17-8-9-24-12-18(17)25-11-13-2-1-3-13/h4,6,10,13,17-18H,1-3,5,7-9,11-12H2,(H,22,23)/t17-,18-/m1/s1
InChIKeyDPOCQIZMIRALJJ-QZTJIDSGSA-N
XLogP2.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide?
The IUPAC name of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide (CID 91767604) is N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide?
The canonical SMILES for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide is O=C(CCc1ccc(F)cc1F)N[C@@H]1CCOC[C@H]1OCC1CCC1.
What is the InChIKey of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide?
The InChIKey is DPOCQIZMIRALJJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H25F2NO3/c20-15-6-4-14(16(21)10-15)5-7-19(23)22-17-8-9-24-12-18(17)25-11-13-2-1-3-13/h4,6,10,13,17-18H,1-3,5,7-9,11-12H2,(H,22,23)/t17-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide?
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide has a molecular weight of 353.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 91767604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).