(Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid

C14H17NO5 — CID 54848318

IUPAC(Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid
SMILESCOCCOc1cccc(/C=C(\NC(C)=O)C(=O)O)c1
InChIInChI=1S/C14H17NO5/c1-10(16)15-13(14(17)18)9-11-4-3-5-12(8-11)20-7-6-19-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)(H,17,18)/b13-9-
InChIKeyNSEZATYYNIKKDO-LCYFTJDESA-N
MW279.29 g/mol
LogP1.27
Rot. Bonds7

About (Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid

(Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid (PubChem CID 54848318) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid
PubChem CID54848318
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid
SMILESCOCCOc1cccc(/C=C(\NC(C)=O)C(=O)O)c1
InChIInChI=1S/C14H17NO5/c1-10(16)15-13(14(17)18)9-11-4-3-5-12(8-11)20-7-6-19-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)(H,17,18)/b13-9-
InChIKeyNSEZATYYNIKKDO-LCYFTJDESA-N
XLogP1.27
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768066
2-acetamido-3-[3-[(2-iodophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4772618
ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate
CID 175144523
3-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoic acid
CID 54365861
2-acetamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 171137645
(E)-2-acetamido-3-[3-[[2-nitro-4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-enoic acid
CID 6209797
2-acetamido-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 67302082
(E)-2-acetamido-3-(2-methoxy-4-pyridinyl)prop-2-enoic acid
CID 104831016
2-benzoyl-3-[3-(2-methoxyethoxy)phenyl]prop-2-enenitrile
CID 76888719
(E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 22148719
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
(E)-2-methyl-3-(3-tetradecoxyphenyl)prop-2-enoic acid
CID 12636970

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid (CID 54848318) is (Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid is COCCOc1cccc(/C=C(\NC(C)=O)C(=O)O)c1.
What is the InChIKey of (Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid?
The InChIKey is NSEZATYYNIKKDO-LCYFTJDESA-N. The full InChI is InChI=1S/C14H17NO5/c1-10(16)15-13(14(17)18)9-11-4-3-5-12(8-11)20-7-6-19-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)(H,17,18)/b13-9-.
What are the key properties of (Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid?
(Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 54848318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).