3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

C28H31N3O4 — CID 54829445

IUPAC3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)CNc2ccccc2OCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C28H31N3O4/c1-20(21-9-3-2-4-10-21)30-28(33)22-11-7-12-23(17-22)31-27(32)18-29-25-14-5-6-15-26(25)35-19-24-13-8-16-34-24/h2-7,9-12,14-15,17,20,24,29H,8,13,16,18-19H2,1H3,(H,30,33)(H,31,32)
InChIKeySTKCQUBEITUMGH-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.79
Rot. Bonds10

About 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54829445) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54829445
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)CNc2ccccc2OCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C28H31N3O4/c1-20(21-9-3-2-4-10-21)30-28(33)22-11-7-12-23(17-22)31-27(32)18-29-25-14-5-6-15-26(25)35-19-24-13-8-16-34-24/h2-7,9-12,14-15,17,20,24,29H,8,13,16,18-19H2,1H3,(H,30,33)(H,31,32)
InChIKeySTKCQUBEITUMGH-UHFFFAOYSA-N
XLogP4.79
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829835
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842128
3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825993
4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54845998
N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
N-[3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829542
2-[2-(oxolan-2-ylmethoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54829439
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54827700
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562
3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54838811
N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54835219

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54829445) is 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(NC(=O)CNc2ccccc2OCC2CCCO2)c1)c1ccccc1.
What is the InChIKey of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is STKCQUBEITUMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-20(21-9-3-2-4-10-21)30-28(33)22-11-7-12-23(17-22)31-27(32)18-29-25-14-5-6-15-26(25)35-19-24-13-8-16-34-24/h2-7,9-12,14-15,17,20,24,29H,8,13,16,18-19H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 473.57 g/mol, XLogP of 4.79, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54829445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).