N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide

C23H28N2O4 — CID 17202238

IUPACN-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C23H28N2O4/c1-16(2)17-8-10-20(11-9-17)29-15-22(26)25-19-6-3-5-18(13-19)23(27)24-14-21-7-4-12-28-21/h3,5-6,8-11,13,16,21H,4,7,12,14-15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyQOUQAMDVWGWHTN-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.74
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide

N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide (PubChem CID 17202238) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
PubChem CID17202238
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C23H28N2O4/c1-16(2)17-8-10-20(11-9-17)29-15-22(26)25-19-6-3-5-18(13-19)23(27)24-14-21-7-4-12-28-21/h3,5-6,8-11,13,16,21H,4,7,12,14-15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyQOUQAMDVWGWHTN-UHFFFAOYSA-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

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 42427540
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202307
3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54824689
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
methyl 4-oxo-4-[3-(oxolan-2-ylmethylcarbamoyl)anilino]butanoate
CID 17202291
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361
3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836834
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54829955
3-[[2-(2-nitrophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202329
N-(3-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158644
N-(oxolan-2-ylmethyl)-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54821908

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide (CID 17202238) is N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide is CC(C)c1ccc(OCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
The InChIKey is QOUQAMDVWGWHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(2)17-8-10-20(11-9-17)29-15-22(26)25-19-6-3-5-18(13-19)23(27)24-14-21-7-4-12-28-21/h3,5-6,8-11,13,16,21H,4,7,12,14-15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide?
N-(oxolan-2-ylmethyl)-3-[[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-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17202238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).