N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide

C22H24N2O4 — CID 78150317

IUPACN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1)C1CC1
InChIInChI=1S/C22H24N2O4/c25-13-19-21(16-8-10-18(11-9-16)23-22(27)17-6-7-17)28-14-20(26)24(19)12-15-4-2-1-3-5-15/h1-5,8-11,17,19,21,25H,6-7,12-14H2,(H,23,27)
InChIKeyMTVIPSAIYBUFFT-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.50
Rot. Bonds6

About N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide

N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 78150317) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID78150317
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1)C1CC1
InChIInChI=1S/C22H24N2O4/c25-13-19-21(16-8-10-18(11-9-16)23-22(27)17-6-7-17)28-14-20(26)24(19)12-15-4-2-1-3-5-15/h1-5,8-11,17,19,21,25H,6-7,12-14H2,(H,23,27)
InChIKeyMTVIPSAIYBUFFT-UHFFFAOYSA-N
XLogP2.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide (CID 78150317) is N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1)C1CC1.
What is the InChIKey of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is MTVIPSAIYBUFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-13-19-21(16-8-10-18(11-9-16)23-22(27)17-6-7-17)28-14-20(26)24(19)12-15-4-2-1-3-5-15/h1-5,8-11,17,19,21,25H,6-7,12-14H2,(H,23,27).
What are the key properties of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 380.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 78150317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).