(E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide

C19H24N4O2 — CID 174645598

IUPAC(E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide
SMILES[H]/N=C(\CCn1nccc1C)[C@@H](CC)c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C19H24N4O2/c1-3-17(18(20)11-13-23-14(2)10-12-21-23)16-7-4-15(5-8-16)6-9-19(24)22-25/h4-10,12,17,20,25H,3,11,13H2,1-2H3,(H,22,24)/b9-6+,20-18+/t17-/m0/s1
InChIKeyTZDOGGGOWFDGOF-ULGQVZKISA-N
MW340.43 g/mol
LogP3.31
Rot. Bonds8

About (E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide (PubChem CID 174645598) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide
PubChem CID174645598
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide
SMILES[H]/N=C(\CCn1nccc1C)[C@@H](CC)c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C19H24N4O2/c1-3-17(18(20)11-13-23-14(2)10-12-21-23)16-7-4-15(5-8-16)6-9-19(24)22-25/h4-10,12,17,20,25H,3,11,13H2,1-2H3,(H,22,24)/b9-6+,20-18+/t17-/m0/s1
InChIKeyTZDOGGGOWFDGOF-ULGQVZKISA-N
XLogP3.31
TPSA91.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[4-[(3S)-6-(4-chlorophenyl)-4-iminohexan-3-yl]phenyl]-N-hydroxyprop-2-enamide
CID 174645500
(E)-N-hydroxy-3-[4-[(3R)-4-imino-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)hexan-3-yl]phenyl]prop-2-enamide
CID 174645547
(E)-3-[4-[6-[2-tert-butyl-6-(methanesulfonamido)-1-methylsulfonylindol-3-yl]-4-iminohexan-3-yl]phenyl]-N-hydroxyprop-2-enamide
CID 174645587
(E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(2-methyl-1H-indol-3-yl)-5-oxohexan-3-yl]phenyl]prop-2-enamide
CID 174633047
(Z)-N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005655
tert-butyl 3-(5-methylpyrazol-1-yl)propanoate
CID 116662728
(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005654
(E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19327964
(E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19294500
N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
CID 141299879
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide (CID 174645598) is (E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide is [H]/N=C(\CCn1nccc1C)[C@@H](CC)c1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide?
The InChIKey is TZDOGGGOWFDGOF-ULGQVZKISA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-17(18(20)11-13-23-14(2)10-12-21-23)16-7-4-15(5-8-16)6-9-19(24)22-25/h4-10,12,17,20,25H,3,11,13H2,1-2H3,(H,22,24)/b9-6+,20-18+/t17-/m0/s1.
What are the key properties of (E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide has a molecular weight of 340.43 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(3S)-4-imino-6-(5-methylpyrazol-1-yl)hexan-3-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 174645598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).