N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide

C23H28N2O4 — CID 78150375

IUPACN-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C2OCC(=O)N(CC(C)C)C2CO)cc1
InChIInChI=1S/C23H28N2O4/c1-15(2)12-25-20(13-26)22(29-14-21(25)27)17-8-10-18(11-9-17)24-23(28)19-7-5-4-6-16(19)3/h4-11,15,20,22,26H,12-14H2,1-3H3,(H,24,28)
InChIKeyYKSYHVURXHKHMA-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.16
Rot. Bonds6

About N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide

N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide (PubChem CID 78150375) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
PubChem CID78150375
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C2OCC(=O)N(CC(C)C)C2CO)cc1
InChIInChI=1S/C23H28N2O4/c1-15(2)12-25-20(13-26)22(29-14-21(25)27)17-8-10-18(11-9-17)24-23(28)19-7-5-4-6-16(19)3/h4-11,15,20,22,26H,12-14H2,1-3H3,(H,24,28)
InChIKeyYKSYHVURXHKHMA-UHFFFAOYSA-N
XLogP3.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 78150332
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 71693392
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150368
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]cyclopentanecarboxamide
CID 78150380
3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide
CID 71693316
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693590
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150520
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
CID 78150337
1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea
CID 78150679
1-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-tert-butylurea
CID 71693270
N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 78150669

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide (CID 78150375) is N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C2OCC(=O)N(CC(C)C)C2CO)cc1.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
The InChIKey is YKSYHVURXHKHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15(2)12-25-20(13-26)22(29-14-21(25)27)17-8-10-18(11-9-17)24-23(28)19-7-5-4-6-16(19)3/h4-11,15,20,22,26H,12-14H2,1-3H3,(H,24,28).
What are the key properties of N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 78150375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).