N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

C22H27NO4 — CID 17222367

IUPACN-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCC(C)COc1ccccc1NC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H27NO4/c1-16(2)14-27-21-8-4-3-7-20(21)23-22(24)17-9-11-18(12-10-17)26-15-19-6-5-13-25-19/h3-4,7-12,16,19H,5-6,13-15H2,1-2H3,(H,23,24)
InChIKeyXPFHIJAGBHNFNB-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.53
Rot. Bonds8

About N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 17222367) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID17222367
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC NameN-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCC(C)COc1ccccc1NC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H27NO4/c1-16(2)14-27-21-8-4-3-7-20(21)23-22(24)17-9-11-18(12-10-17)26-15-19-6-5-13-25-19/h3-4,7-12,16,19H,5-6,13-15H2,1-2H3,(H,23,24)
InChIKeyXPFHIJAGBHNFNB-UHFFFAOYSA-N
XLogP4.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170286
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 42580253
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222238
N-cyclopentyl-2-[[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzamide
CID 31287648
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17170147

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 17222367) is N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is CC(C)COc1ccccc1NC(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is XPFHIJAGBHNFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-16(2)14-27-21-8-4-3-7-20(21)23-22(24)17-9-11-18(12-10-17)26-15-19-6-5-13-25-19/h3-4,7-12,16,19H,5-6,13-15H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 369.46 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 17222367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).