(E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide

C19H23N3O2 — CID 59528988

IUPAC(E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide
SMILESCN(CCCc1ccccc1)c1ccc(/C=C/C(=O)NO)cc1N
InChIInChI=1S/C19H23N3O2/c1-22(13-5-8-15-6-3-2-4-7-15)18-11-9-16(14-17(18)20)10-12-19(23)21-24/h2-4,6-7,9-12,14,24H,5,8,13,20H2,1H3,(H,21,23)/b12-10+
InChIKeyRDJCYBNMQMBRJZ-ZRDIBKRKSA-N
MW325.41 g/mol
LogP2.86
Rot. Bonds7

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

(E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 59528988) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID59528988
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide
SMILESCN(CCCc1ccccc1)c1ccc(/C=C/C(=O)NO)cc1N
InChIInChI=1S/C19H23N3O2/c1-22(13-5-8-15-6-3-2-4-7-15)18-11-9-16(14-17(18)20)10-12-19(23)21-24/h2-4,6-7,9-12,14,24H,5,8,13,20H2,1H3,(H,21,23)/b12-10+
InChIKeyRDJCYBNMQMBRJZ-ZRDIBKRKSA-N
XLogP2.86
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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)-N-hydroxy-3-[3-(methylideneamino)-4-[methyl(3-phenylpropyl)amino]phenyl]prop-2-enamide
CID 143019450
(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)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide
CID 143424498
methyl 3-amino-4-[methyl(2-phenylethyl)amino]benzoate
CID 65488129
(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
(E)-3-(3-amino-4-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 39384361
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide
CID 115343324
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide (CID 59528988) is (E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide is CN(CCCc1ccccc1)c1ccc(/C=C/C(=O)NO)cc1N.
What is the InChIKey of (E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is RDJCYBNMQMBRJZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(13-5-8-15-6-3-2-4-7-15)18-11-9-16(14-17(18)20)10-12-19(23)21-24/h2-4,6-7,9-12,14,24H,5,8,13,20H2,1H3,(H,21,23)/b12-10+.
What are the key properties of (E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 59528988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).