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

C19H25N3O5 — CID 78150520

IUPACN-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
SMILESCN(C)C(=O)CN1C(=O)COC(c2ccc(NC(=O)C3CC3)cc2)C1CO
InChIInChI=1S/C19H25N3O5/c1-21(2)16(24)9-22-15(10-23)18(27-11-17(22)25)12-5-7-14(8-6-12)20-19(26)13-3-4-13/h5-8,13,15,18,23H,3-4,9-11H2,1-2H3,(H,20,26)
InChIKeyOZMDBHGHISFRII-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.38
Rot. Bonds6

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

N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 78150520) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID78150520
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
SMILESCN(C)C(=O)CN1C(=O)COC(c2ccc(NC(=O)C3CC3)cc2)C1CO
InChIInChI=1S/C19H25N3O5/c1-21(2)16(24)9-22-15(10-23)18(27-11-17(22)25)12-5-7-14(8-6-12)20-19(26)13-3-4-13/h5-8,13,15,18,23H,3-4,9-11H2,1-2H3,(H,20,26)
InChIKeyOZMDBHGHISFRII-UHFFFAOYSA-N
XLogP0.38
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
CID 78150542
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693629
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]cyclopentanecarboxamide
CID 78150380
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317
N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 71693477
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693319
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693709
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
CID 78150496
N-[4-[3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
CID 78150776
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
CID 78150457
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150368
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693240

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide (CID 78150520) is N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide is CN(C)C(=O)CN1C(=O)COC(c2ccc(NC(=O)C3CC3)cc2)C1CO.
What is the InChIKey of N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is OZMDBHGHISFRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-21(2)16(24)9-22-15(10-23)18(27-11-17(22)25)12-5-7-14(8-6-12)20-19(26)13-3-4-13/h5-8,13,15,18,23H,3-4,9-11H2,1-2H3,(H,20,26).
What are the key properties of N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 375.43 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 78150520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).