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

C21H24N2O4 — CID 17222424

IUPAC4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C21H24N2O4/c1-2-20(24)22-16-5-3-6-17(13-16)23-21(25)15-8-10-18(11-9-15)27-14-19-7-4-12-26-19/h3,5-6,8-11,13,19H,2,4,7,12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyXNQXCBGXOWDKTG-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.85
Rot. Bonds7

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

4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide (PubChem CID 17222424) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
PubChem CID17222424
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C21H24N2O4/c1-2-20(24)22-16-5-3-6-17(13-16)23-21(25)15-8-10-18(11-9-15)27-14-19-7-4-12-26-19/h3,5-6,8-11,13,19H,2,4,7,12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyXNQXCBGXOWDKTG-UHFFFAOYSA-N
XLogP3.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 46449164
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55587996
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide (CID 17222424) is 4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide is CCC(=O)Nc1cccc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide?
The InChIKey is XNQXCBGXOWDKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-20(24)22-16-5-3-6-17(13-16)23-21(25)15-8-10-18(11-9-15)27-14-19-7-4-12-26-19/h3,5-6,8-11,13,19H,2,4,7,12,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide?
4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide is sourced from PubChem (CID 17222424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).