(E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride

C22H27ClN4O3 — CID 140526726

IUPAC(E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)/C=C/c1ccc(C=NOCCN2CCOCC2)cc1
InChIInChI=1S/C22H26N4O3.ClH/c23-20-3-1-2-4-21(20)25-22(27)10-9-18-5-7-19(8-6-18)17-24-29-16-13-26-11-14-28-15-12-26;/h1-10,17H,11-16,23H2,(H,25,27);1H/b10-9+,24-17?;
InChIKeyGYYUWFNCIFKBEJ-HFWQAORDSA-N
MW430.94 g/mol
LogP3.03
Rot. Bonds8

About (E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride

(E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride (PubChem CID 140526726) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
PubChem CID140526726
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name(E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)/C=C/c1ccc(C=NOCCN2CCOCC2)cc1
InChIInChI=1S/C22H26N4O3.ClH/c23-20-3-1-2-4-21(20)25-22(27)10-9-18-5-7-19(8-6-18)17-24-29-16-13-26-11-14-28-15-12-26;/h1-10,17H,11-16,23H2,(H,25,27);1H/b10-9+,24-17?;
InChIKeyGYYUWFNCIFKBEJ-HFWQAORDSA-N
XLogP3.03
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid
CID 173100165
(E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
CID 86761195
(E)-N-hydroxy-3-[3-[(E)-2-morpholin-4-ylethoxyiminomethyl]phenyl]prop-2-enamide
CID 44592024
1-(4-hydrazinylphenyl)-N-(2-morpholin-4-ylethoxy)methanimine;hydrochloride
CID 87290774
(E)-1-(4-hydrazinylphenyl)-N-(2-morpholin-4-ylethoxy)methanimine
CID 58265610
(E)-N-(2-aminophenyl)-3-[4-[[3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)anilino]methyl]phenyl]prop-2-enamide
CID 20785978
(E)-N-(2-aminophenyl)-3-[4-[1-(3-morpholin-4-ylpropylamino)-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]phenyl]prop-2-enamide
CID 53324670
N-(2-aminophenyl)-3-[4-[1-[methyl(2-morpholin-4-ylethyl)amino]-2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]phenyl]prop-2-enamide
CID 68509270
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 20786027
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide
CID 68976485

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride (CID 140526726) is (E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride is Cl.Nc1ccccc1NC(=O)/C=C/c1ccc(C=NOCCN2CCOCC2)cc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride?
The InChIKey is GYYUWFNCIFKBEJ-HFWQAORDSA-N. The full InChI is InChI=1S/C22H26N4O3.ClH/c23-20-3-1-2-4-21(20)25-22(27)10-9-18-5-7-19(8-6-18)17-24-29-16-13-26-11-14-28-15-12-26;/h1-10,17H,11-16,23H2,(H,25,27);1H/b10-9+,24-17?;.
What are the key properties of (E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride?
(E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride has a molecular weight of 430.94 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 140526726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).