methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate

C14H19NO4 — CID 5473930

IUPACmethyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1N(CCO)CCO
InChIInChI=1S/C14H19NO4/c1-19-14(18)7-6-12-4-2-3-5-13(12)15(8-10-16)9-11-17/h2-7,16-17H,8-11H2,1H3/b7-6+
InChIKeySNSIUOXZOFZNAT-VOTSOKGWSA-N
MW265.31 g/mol
LogP0.66
Rot. Bonds7

About methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate

methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate (PubChem CID 5473930) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate
PubChem CID5473930
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1N(CCO)CCO
InChIInChI=1S/C14H19NO4/c1-19-14(18)7-6-12-4-2-3-5-13(12)15(8-10-16)9-11-17/h2-7,16-17H,8-11H2,1H3/b7-6+
InChIKeySNSIUOXZOFZNAT-VOTSOKGWSA-N
XLogP0.66
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.66
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)-3-[2-[chloro(nitroso)amino]phenyl]prop-2-enoate
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methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
methyl (E)-3-(2-aminophenyl)prop-2-enoate
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methyl (E)-3-[2-(chloromethyl)phenyl]prop-2-enoate
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methyl (E)-3-[2-(propan-2-ylamino)phenyl]prop-2-enoate
CID 122514319
methyl (E)-3-[2-(propanoylamino)phenyl]prop-2-enoate
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methyl 3-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)prop-2-enoate
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methyl (E)-3-[2-[(R)-benzylsulfinyl]phenyl]prop-2-enoate
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CID 70253716
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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate (CID 5473930) is methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate is COC(=O)/C=C/c1ccccc1N(CCO)CCO.
What is the InChIKey of methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate?
The InChIKey is SNSIUOXZOFZNAT-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-14(18)7-6-12-4-2-3-5-13(12)15(8-10-16)9-11-17/h2-7,16-17H,8-11H2,1H3/b7-6+.
What are the key properties of methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate?
methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate has a molecular weight of 265.31 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate is sourced from PubChem (CID 5473930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).