(E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide

C20H23N3O2 — CID 143019450

IUPAC(E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide
SMILESC=Nc1cc(/C=C/C(=O)NO)ccc1N(C)CCCc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-21-18-15-17(11-13-20(24)22-25)10-12-19(18)23(2)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,25H,1,6,9,14H2,2H3,(H,22,24)/b13-11+
InChIKeyGTCKYIVOWUVSFH-ACCUITESSA-N
MW337.42 g/mol
LogP3.61
Rot. Bonds8

About (E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide (PubChem CID 143019450) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide
PubChem CID143019450
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide
SMILESC=Nc1cc(/C=C/C(=O)NO)ccc1N(C)CCCc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-21-18-15-17(11-13-20(24)22-25)10-12-19(18)23(2)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,25H,1,6,9,14H2,2H3,(H,22,24)/b13-11+
InChIKeyGTCKYIVOWUVSFH-ACCUITESSA-N
XLogP3.61
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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

(E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 59528988
(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579472
N-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-(3-phenylpropyl)carbamoyl]benzamide
CID 72980788
(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide
CID 11186705
N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide
CID 110300693
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide
CID 58816194
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 1001333
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
CID 20579481

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide (CID 143019450) is (E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide is C=Nc1cc(/C=C/C(=O)NO)ccc1N(C)CCCc1ccccc1.
What is the InChIKey of (E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide?
The InChIKey is GTCKYIVOWUVSFH-ACCUITESSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-21-18-15-17(11-13-20(24)22-25)10-12-19(18)23(2)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,25H,1,6,9,14H2,2H3,(H,22,24)/b13-11+.
What are the key properties of (E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 143019450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).