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

C27H28N2O4 — CID 17233663

IUPAC4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C27H28N2O4/c30-26(17-8-20-5-2-1-3-6-20)28-22-11-13-23(14-12-22)29-27(31)21-9-15-24(16-10-21)33-19-25-7-4-18-32-25/h1-3,5-6,9-16,25H,4,7-8,17-19H2,(H,28,30)(H,29,31)
InChIKeyMKAUHFKZGZFNHE-UHFFFAOYSA-N
MW444.53 g/mol
LogP5.07
Rot. Bonds9

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

4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide (PubChem CID 17233663) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
PubChem CID17233663
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C27H28N2O4/c30-26(17-8-20-5-2-1-3-6-20)28-22-11-13-23(14-12-22)29-27(31)21-9-15-24(16-10-21)33-19-25-7-4-18-32-25/h1-3,5-6,9-16,25H,4,7-8,17-19H2,(H,28,30)(H,29,31)
InChIKeyMKAUHFKZGZFNHE-UHFFFAOYSA-N
XLogP5.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 4957999
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
4-(oxolan-2-ylmethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17222220
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
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
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
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide (CID 17233663) is 4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide is O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide?
The InChIKey is MKAUHFKZGZFNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c30-26(17-8-20-5-2-1-3-6-20)28-22-11-13-23(14-12-22)29-27(31)21-9-15-24(16-10-21)33-19-25-7-4-18-32-25/h1-3,5-6,9-16,25H,4,7-8,17-19H2,(H,28,30)(H,29,31).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide?
4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide has a molecular weight of 444.53 g/mol, XLogP of 5.07, 9 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-[4-(3-phenylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 17233663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).