methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate

C21H24N2O5 — CID 54816958

IUPACmethyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCC(=O)Nc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-26-21(25)15-4-6-16(7-5-15)22-13-20(24)23-17-8-10-18(11-9-17)28-14-19-3-2-12-27-19/h4-11,19,22H,2-3,12-14H2,1H3,(H,23,24)
InChIKeyYEAVFLYGASVBJK-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.08
Rot. Bonds8

About methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate

methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate (PubChem CID 54816958) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
PubChem CID54816958
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namemethyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCC(=O)Nc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-26-21(25)15-4-6-16(7-5-15)22-13-20(24)23-17-8-10-18(11-9-17)28-14-19-3-2-12-27-19/h4-11,19,22H,2-3,12-14H2,1H3,(H,23,24)
InChIKeyYEAVFLYGASVBJK-UHFFFAOYSA-N
XLogP3.08
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate with MolForge

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Related Compounds

propyl 4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzoate
CID 54821487
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594
N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821326
2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821595
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821618
3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
methyl 4-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178607
(4-methoxycarbonylphenyl) 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2677890
N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821256

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate (CID 54816958) is methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate is COC(=O)c1ccc(NCC(=O)Nc2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate?
The InChIKey is YEAVFLYGASVBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-21(25)15-4-6-16(7-5-15)22-13-20(24)23-17-8-10-18(11-9-17)28-14-19-3-2-12-27-19/h4-11,19,22H,2-3,12-14H2,1H3,(H,23,24).
What are the key properties of methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate?
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate has a molecular weight of 384.43 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate is sourced from PubChem (CID 54816958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).