N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide

C20H26N2O5 — CID 71693709

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1)C1CC1
InChIInChI=1S/C20H26N2O5/c23-11-17-19(27-12-18(24)22(17)16-7-9-26-10-8-16)13-3-5-15(6-4-13)21-20(25)14-1-2-14/h3-6,14,16-17,19,23H,1-2,7-12H2,(H,21,25)/t17-,19-/m1/s1
InChIKeyDZMKPAKELBVSOP-IEBWSBKVSA-N
MW374.44 g/mol
LogP1.47
Rot. Bonds5

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

N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 71693709) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID71693709
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1)C1CC1
InChIInChI=1S/C20H26N2O5/c23-11-17-19(27-12-18(24)22(17)16-7-9-26-10-8-16)13-3-5-15(6-4-13)21-20(25)14-1-2-14/h3-6,14,16-17,19,23H,1-2,7-12H2,(H,21,25)/t17-,19-/m1/s1
InChIKeyDZMKPAKELBVSOP-IEBWSBKVSA-N
XLogP1.47
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
CID 78150776
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693629
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
CID 78150542
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]cyclopentanecarboxamide
CID 78150380
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150520
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693240
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
CID 78150496
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
CID 78150457
1-(4-fluorophenyl)-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150676
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693319

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide (CID 71693709) is N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1)C1CC1.
What is the InChIKey of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is DZMKPAKELBVSOP-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H26N2O5/c23-11-17-19(27-12-18(24)22(17)16-7-9-26-10-8-16)13-3-5-15(6-4-13)21-20(25)14-1-2-14/h3-6,14,16-17,19,23H,1-2,7-12H2,(H,21,25)/t17-,19-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 374.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 71693709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).