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

C14H20N2O2 — CID 20579481

IUPAC(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
SMILESCCCN(C)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C14H20N2O2/c1-3-10-16(2)11-13-6-4-12(5-7-13)8-9-14(17)15-18/h4-9,18H,3,10-11H2,1-2H3,(H,15,17)/b9-8+
InChIKeyWUGVDXLLXPJHLR-CMDGGOBGSA-N
MW248.33 g/mol
LogP2.05
Rot. Bonds6

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

(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide (PubChem CID 20579481) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
PubChem CID20579481
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
SMILESCCCN(C)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C14H20N2O2/c1-3-10-16(2)11-13-6-4-12(5-7-13)8-9-14(17)15-18/h4-9,18H,3,10-11H2,1-2H3,(H,15,17)/b9-8+
InChIKeyWUGVDXLLXPJHLR-CMDGGOBGSA-N
XLogP2.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(E)-3-[4-[[1-adamantylmethyl(methyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 90479372
(E)-3-[4-[[1-adamantylmethyl(methyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 169494176
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
(E)-3-(4-propylphenyl)-N'-[(E)-3-(4-propylphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406109
(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579472
(E)-3-[4-[[1-adamantyl(methyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118699484
(E)-3-[4-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 143867987
(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide
CID 60569011
N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
CID 141299879
(E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 143868026

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide (CID 20579481) is (E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide is CCCN(C)Cc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide?
The InChIKey is WUGVDXLLXPJHLR-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-10-16(2)11-13-6-4-12(5-7-13)8-9-14(17)15-18/h4-9,18H,3,10-11H2,1-2H3,(H,15,17)/b9-8+.
What are the key properties of (E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 20579481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).