3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide

C22H27NO4 — CID 17149811

IUPAC3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C22H27NO4/c1-3-16(2)27-20-7-4-6-17(14-20)22(24)23-18-9-11-19(12-10-18)26-15-21-8-5-13-25-21/h4,6-7,9-12,14,16,21H,3,5,8,13,15H2,1-2H3,(H,23,24)
InChIKeyBHIWQIPTBFNUJA-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.67
Rot. Bonds8

About 3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide

3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 17149811) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID17149811
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C22H27NO4/c1-3-16(2)27-20-7-4-6-17(14-20)22(24)23-18-9-11-19(12-10-18)26-15-21-8-5-13-25-21/h4,6-7,9-12,14,16,21H,3,5,8,13,15H2,1-2H3,(H,23,24)
InChIKeyBHIWQIPTBFNUJA-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199
methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
CID 41442893
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
4-butan-2-yloxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 17141640
2-methyl-2-[4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]propanoic acid
CID 119254234
3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 17149811) is 3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide is CCC(C)Oc1cccc(C(=O)Nc2ccc(OCC3CCCO3)cc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is BHIWQIPTBFNUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-16(2)27-20-7-4-6-17(14-20)22(24)23-18-9-11-19(12-10-18)26-15-21-8-5-13-25-21/h4,6-7,9-12,14,16,21H,3,5,8,13,15H2,1-2H3,(H,23,24).
What are the key properties of 3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 369.46 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 17149811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).