N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide

C18H24N2O4 — CID 56774563

IUPACN-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
SMILESCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-2-20-15(10-24-11-16(20)21)17(22)12-6-8-14(9-7-12)19-18(23)13-4-3-5-13/h6-9,13,15,17,22H,2-5,10-11H2,1H3,(H,19,23)/t15-,17-/m1/s1
InChIKeyXBFDRMHTEDVLIU-NVXWUHKLSA-N
MW332.40 g/mol
LogP1.71
Rot. Bonds5

About N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide

N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide (PubChem CID 56774563) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
PubChem CID56774563
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
SMILESCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-2-20-15(10-24-11-16(20)21)17(22)12-6-8-14(9-7-12)19-18(23)13-4-3-5-13/h6-9,13,15,17,22H,2-5,10-11H2,1H3,(H,19,23)/t15-,17-/m1/s1
InChIKeyXBFDRMHTEDVLIU-NVXWUHKLSA-N
XLogP1.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide (CID 56774563) is N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide is CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCC2)cc1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
The InChIKey is XBFDRMHTEDVLIU-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-20-15(10-24-11-16(20)21)17(22)12-6-8-14(9-7-12)19-18(23)13-4-3-5-13/h6-9,13,15,17,22H,2-5,10-11H2,1H3,(H,19,23)/t15-,17-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 56774563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).