N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide

C23H28N2O4 — CID 42427540

IUPACN-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1
InChIInChI=1S/C23H28N2O4/c1-16(2)17-7-11-20(12-8-17)29-15-22(26)25-19-9-5-18(6-10-19)23(27)24-14-21-4-3-13-28-21/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyGYUMWDJYKRYGLU-NRFANRHFSA-N
MW396.49 g/mol
LogP3.74
Rot. Bonds8

About N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide

N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide (PubChem CID 42427540) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
PubChem CID42427540
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1
InChIInChI=1S/C23H28N2O4/c1-16(2)17-7-11-20(12-8-17)29-15-22(26)25-19-9-5-18(6-10-19)23(27)24-14-21-4-3-13-28-21/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyGYUMWDJYKRYGLU-NRFANRHFSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide with MolForge

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Related Compounds

N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17202238
N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062685
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
(3S)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7318082
4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide
CID 6472346
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
CID 55527840

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide (CID 42427540) is N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide is CC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
The InChIKey is GYUMWDJYKRYGLU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(2)17-7-11-20(12-8-17)29-15-22(26)25-19-9-5-18(6-10-19)23(27)24-14-21-4-3-13-28-21/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,24,27)(H,25,26)/t21-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 42427540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).