(E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide

C20H23N3O3 — CID 140739534

IUPAC(E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccccc1N(O)Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H23N3O3/c21-20(24)9-8-17-5-1-2-7-19(17)23(25)15-16-4-3-6-18(14-16)22-10-12-26-13-11-22/h1-9,14,25H,10-13,15H2,(H2,21,24)/b9-8+
InChIKeyWPPXVEHKSFWEIQ-CMDGGOBGSA-N
MW353.42 g/mol
LogP2.42
Rot. Bonds6

About (E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide

(E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide (PubChem CID 140739534) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide
PubChem CID140739534
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccccc1N(O)Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H23N3O3/c21-20(24)9-8-17-5-1-2-7-19(17)23(25)15-16-4-3-6-18(14-16)22-10-12-26-13-11-22/h1-9,14,25H,10-13,15H2,(H2,21,24)/b9-8+
InChIKeyWPPXVEHKSFWEIQ-CMDGGOBGSA-N
XLogP2.42
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[(3-morpholin-4-ylphenyl)methyl]acetamide
CID 144965173
2-(3-morpholin-4-ylphenyl)ethanol
CID 11788996
N-benzyl-N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide
CID 86681827
3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide
CID 72689409
(E)-3-[4-(4-benzylpiperazin-1-yl)-2-bromophenyl]prop-2-enamide
CID 170878040
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030157
4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide
CID 102562606
6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid
CID 159769323
(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877800
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 11233922
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide (CID 140739534) is (E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide is NC(=O)/C=C/c1ccccc1N(O)Cc1cccc(N2CCOCC2)c1.
What is the InChIKey of (E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide?
The InChIKey is WPPXVEHKSFWEIQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H23N3O3/c21-20(24)9-8-17-5-1-2-7-19(17)23(25)15-16-4-3-6-18(14-16)22-10-12-26-13-11-22/h1-9,14,25H,10-13,15H2,(H2,21,24)/b9-8+.
What are the key properties of (E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide?
(E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide has a molecular weight of 353.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[hydroxy-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 140739534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).