(Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide

C22H20N2O3 — CID 142800165

IUPAC(Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide
SMILESNC(=O)/C(=C\O)c1ccccc1NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H20N2O3/c23-22(26)20(15-25)19-11-4-5-12-21(19)24-14-16-7-6-10-18(13-16)27-17-8-2-1-3-9-17/h1-13,15,24-25H,14H2,(H2,23,26)/b20-15-
InChIKeyGNXOOQBFXODNFX-HKWRFOASSA-N
MW360.41 g/mol
LogP4.48
Rot. Bonds7

About (Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide

(Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide (PubChem CID 142800165) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide
PubChem CID142800165
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide
SMILESNC(=O)/C(=C\O)c1ccccc1NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H20N2O3/c23-22(26)20(15-25)19-11-4-5-12-21(19)24-14-16-7-6-10-18(13-16)27-17-8-2-1-3-9-17/h1-13,15,24-25H,14H2,(H2,23,26)/b20-15-
InChIKeyGNXOOQBFXODNFX-HKWRFOASSA-N
XLogP4.48
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
2-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 60874267
2-[(3-propan-2-yloxyphenyl)methylamino]benzoic acid
CID 61210168
5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide
CID 141087482
2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide
CID 171062567
2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 31526257
2-[(3-carboxyphenyl)methylamino]benzoic acid
CID 10468410
1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea
CID 68878464
3-[(3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059607
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
methyl 2-amino-3-[(3-methoxyphenyl)methylamino]benzoate
CID 115545001
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide (CID 142800165) is (Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide is NC(=O)/C(=C\O)c1ccccc1NCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of (Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide?
The InChIKey is GNXOOQBFXODNFX-HKWRFOASSA-N. The full InChI is InChI=1S/C22H20N2O3/c23-22(26)20(15-25)19-11-4-5-12-21(19)24-14-16-7-6-10-18(13-16)27-17-8-2-1-3-9-17/h1-13,15,24-25H,14H2,(H2,23,26)/b20-15-.
What are the key properties of (Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide?
(Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide has a molecular weight of 360.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 142800165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).