methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate

C14H17NO5 — CID 146099757

IUPACmethyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C14H17NO5/c1-19-13(17)3-2-8-15-14(18)11-4-6-12(7-5-11)20-10-9-16/h2-7,16H,8-10H2,1H3,(H,15,18)/b3-2+
InChIKeyGQZVQYVASUWEAZ-NSCUHMNNSA-N
MW279.29 g/mol
LogP0.52
Rot. Bonds7

About methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate

methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate (PubChem CID 146099757) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate
PubChem CID146099757
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namemethyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C14H17NO5/c1-19-13(17)3-2-8-15-14(18)11-4-6-12(7-5-11)20-10-9-16/h2-7,16H,8-10H2,1H3,(H,15,18)/b3-2+
InChIKeyGQZVQYVASUWEAZ-NSCUHMNNSA-N
XLogP0.52
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate
CID 146141885
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034
N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane
CID 178010444
N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
CID 169465739
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
CID 139895558
methyl (E)-4-[[4-(3-hydroxypyrrolidin-1-yl)benzoyl]amino]but-2-enoate
CID 146099779
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
methyl (E)-3-[4-[4-(6-hydroxyhexoxy)benzoyl]phenyl]prop-2-enoate
CID 90399471
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
CID 54039627

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate?
The IUPAC name of methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate (CID 146099757) is methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate.
What is the SMILES notation for methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate?
The canonical SMILES for methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate is COC(=O)/C=C/CNC(=O)c1ccc(OCCO)cc1.
What is the InChIKey of methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate?
The InChIKey is GQZVQYVASUWEAZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-13(17)3-2-8-15-14(18)11-4-6-12(7-5-11)20-10-9-16/h2-7,16H,8-10H2,1H3,(H,15,18)/b3-2+.
What are the key properties of methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate?
methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate has a molecular weight of 279.29 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate is sourced from PubChem (CID 146099757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).