(E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid

C23H19NO5 — CID 22148719

IUPAC(E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
SMILESCOc1ccc(Oc2cccc(/C=C(/NC(=O)c3ccccc3)C(=O)O)c2)cc1
InChIInChI=1S/C23H19NO5/c1-28-18-10-12-19(13-11-18)29-20-9-5-6-16(14-20)15-21(23(26)27)24-22(25)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25)(H,26,27)/b21-15+
InChIKeyVQINBTUHQFXSQP-RCCKNPSSSA-N
MW389.41 g/mol
LogP4.34
Rot. Bonds7

About (E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid

(E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid (PubChem CID 22148719) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is (E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
PubChem CID22148719
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name(E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
SMILESCOc1ccc(Oc2cccc(/C=C(/NC(=O)c3ccccc3)C(=O)O)c2)cc1
InChIInChI=1S/C23H19NO5/c1-28-18-10-12-19(13-11-18)29-20-9-5-6-16(14-20)15-21(23(26)27)24-22(25)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25)(H,26,27)/b21-15+
InChIKeyVQINBTUHQFXSQP-RCCKNPSSSA-N
XLogP4.34
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 22148195
(E)-2-benzamido-3-[4-(2-chloro-5-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 22148439
N-[(Z)-3-(dimethylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-methylbenzamide
CID 75408821
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
3-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoic acid
CID 54365861
(E)-2-benzamido-3-[3-(2-chloro-4-nitrophenoxy)phenyl]prop-2-enoic acid
CID 22148253
2-benzamido-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4772674
N-[3-(dimethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 740454
N-[(E)-3-anilino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1083661
3-[[(Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 1367341
3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
CID 7376056
2-acetamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 171137645

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid (CID 22148719) is (E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid is COc1ccc(Oc2cccc(/C=C(/NC(=O)c3ccccc3)C(=O)O)c2)cc1.
What is the InChIKey of (E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid?
The InChIKey is VQINBTUHQFXSQP-RCCKNPSSSA-N. The full InChI is InChI=1S/C23H19NO5/c1-28-18-10-12-19(13-11-18)29-20-9-5-6-16(14-20)15-21(23(26)27)24-22(25)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25)(H,26,27)/b21-15+.
What are the key properties of (E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid?
(E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid has a molecular weight of 389.41 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 22148719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).