N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide

C23H28N2O4 — CID 86835563

IUPACN-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)Nc1ccccc1OCC1CCCCO1)NC(=O)c1ccccc1
InChIInChI=1S/C23H28N2O4/c1-17(24-23(27)18-9-3-2-4-10-18)15-22(26)25-20-12-5-6-13-21(20)29-16-19-11-7-8-14-28-19/h2-6,9-10,12-13,17,19H,7-8,11,14-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyLBAHSAKJYAOSNT-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.78
Rot. Bonds8

About N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide

N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide (PubChem CID 86835563) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide
PubChem CID86835563
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)Nc1ccccc1OCC1CCCCO1)NC(=O)c1ccccc1
InChIInChI=1S/C23H28N2O4/c1-17(24-23(27)18-9-3-2-4-10-18)15-22(26)25-20-12-5-6-13-21(20)29-16-19-11-7-8-14-28-19/h2-6,9-10,12-13,17,19H,7-8,11,14-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyLBAHSAKJYAOSNT-UHFFFAOYSA-N
XLogP3.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylhexan-2-yl)-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577047
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
2-[cyclohexyl(methyl)amino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817408
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60577378
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17170147
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide (CID 86835563) is N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)Nc1ccccc1OCC1CCCCO1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide?
The InChIKey is LBAHSAKJYAOSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17(24-23(27)18-9-3-2-4-10-18)15-22(26)25-20-12-5-6-13-21(20)29-16-19-11-7-8-14-28-19/h2-6,9-10,12-13,17,19H,7-8,11,14-16H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide?
N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 86835563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).