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

C15H18N2O4 — CID 71693240

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C1CO[C@H](c2ccc(NC(=O)C3CC3)cc2)[C@@H](CO)N1
InChIInChI=1S/C15H18N2O4/c18-7-12-14(21-8-13(19)17-12)9-3-5-11(6-4-9)16-15(20)10-1-2-10/h3-6,10,12,14,18H,1-2,7-8H2,(H,16,20)(H,17,19)/t12-,14-/m1/s1
InChIKeyVVLMDSSOKJMIAD-TZMCWYRMSA-N
MW290.32 g/mol
LogP0.58
Rot. Bonds4

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

N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 71693240) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID71693240
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C1CO[C@H](c2ccc(NC(=O)C3CC3)cc2)[C@@H](CO)N1
InChIInChI=1S/C15H18N2O4/c18-7-12-14(21-8-13(19)17-12)9-3-5-11(6-4-9)16-15(20)10-1-2-10/h3-6,10,12,14,18H,1-2,7-8H2,(H,16,20)(H,17,19)/t12-,14-/m1/s1
InChIKeyVVLMDSSOKJMIAD-TZMCWYRMSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea
CID 78150293
N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150290
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693629
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(oxan-4-yl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693709
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-[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
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide
CID 106911851
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 134698892

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide (CID 71693240) is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide is O=C1CO[C@H](c2ccc(NC(=O)C3CC3)cc2)[C@@H](CO)N1.
What is the InChIKey of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is VVLMDSSOKJMIAD-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-7-12-14(21-8-13(19)17-12)9-3-5-11(6-4-9)16-15(20)10-1-2-10/h3-6,10,12,14,18H,1-2,7-8H2,(H,16,20)(H,17,19)/t12-,14-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 71693240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).