4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide

C28H31N3O4 — CID 54845998

IUPAC4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NCC(=O)Nc2ccc(OCC3CCCO3)cc2)cc1)c1ccccc1
InChIInChI=1S/C28H31N3O4/c1-20(21-6-3-2-4-7-21)30-28(33)22-9-11-23(12-10-22)29-18-27(32)31-24-13-15-25(16-14-24)35-19-26-8-5-17-34-26/h2-4,6-7,9-16,20,26,29H,5,8,17-19H2,1H3,(H,30,33)(H,31,32)
InChIKeyLWWLYESXIQOVTI-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.79
Rot. Bonds10

About 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54845998) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54845998
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NCC(=O)Nc2ccc(OCC3CCCO3)cc2)cc1)c1ccccc1
InChIInChI=1S/C28H31N3O4/c1-20(21-6-3-2-4-7-21)30-28(33)22-9-11-23(12-10-22)29-18-27(32)31-24-13-15-25(16-14-24)35-19-26-8-5-17-34-26/h2-4,6-7,9-16,20,26,29H,5,8,17-19H2,1H3,(H,30,33)(H,31,32)
InChIKeyLWWLYESXIQOVTI-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

N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
CID 54816958
4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829445
N-butan-2-yl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54834406
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568
3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
propyl 4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzoate
CID 54821487

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide (CID 54845998) is 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NCC(=O)Nc2ccc(OCC3CCCO3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is LWWLYESXIQOVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-20(21-6-3-2-4-7-21)30-28(33)22-9-11-23(12-10-22)29-18-27(32)31-24-13-15-25(16-14-24)35-19-26-8-5-17-34-26/h2-4,6-7,9-16,20,26,29H,5,8,17-19H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]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 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54845998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).