N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide

C23H26N2O4 — CID 134698892

IUPACN-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1)C1CC1
InChIInChI=1S/C23H26N2O4/c26-15-20-22(17-4-2-1-3-5-17)25(12-13-29-20)21(27)14-16-6-10-19(11-7-16)24-23(28)18-8-9-18/h1-7,10-11,18,20,22,26H,8-9,12-15H2,(H,24,28)/t20-,22-/m1/s1
InChIKeyZMTYMFBCBYHRQT-IFMALSPDSA-N
MW394.47 g/mol
LogP2.54
Rot. Bonds6

About N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide (PubChem CID 134698892) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide
PubChem CID134698892
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1)C1CC1
InChIInChI=1S/C23H26N2O4/c26-15-20-22(17-4-2-1-3-5-17)25(12-13-29-20)21(27)14-16-6-10-19(11-7-16)24-23(28)18-8-9-18/h1-7,10-11,18,20,22,26H,8-9,12-15H2,(H,24,28)/t20-,22-/m1/s1
InChIKeyZMTYMFBCBYHRQT-IFMALSPDSA-N
XLogP2.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(hydroxymethyl)phenyl]-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155510119
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide
CID 134705614
N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
CID 134695894
1-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 134697404
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 134708065
3-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]-1,1-dimethylurea
CID 134714041
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
CID 134714534
1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one
CID 134704218
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 134704146
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 134711695
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 134710467

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide (CID 134698892) is N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(CC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1)C1CC1.
What is the InChIKey of N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is ZMTYMFBCBYHRQT-IFMALSPDSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-15-20-22(17-4-2-1-3-5-17)25(12-13-29-20)21(27)14-16-6-10-19(11-7-16)24-23(28)18-8-9-18/h1-7,10-11,18,20,22,26H,8-9,12-15H2,(H,24,28)/t20-,22-/m1/s1.
What are the key properties of N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 134698892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).