N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide

C19H20N2O4 — CID 122514143

IUPACN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide
SMILESO=C(/C=C/c1ccccc1NC(=O)c1cccc(CCCO)c1)NO
InChIInChI=1S/C19H20N2O4/c22-12-4-6-14-5-3-8-16(13-14)19(24)20-17-9-2-1-7-15(17)10-11-18(23)21-25/h1-3,5,7-11,13,22,25H,4,6,12H2,(H,20,24)(H,21,23)/b11-10+
InChIKeyWAHBUHFYGNGQAC-ZHACJKMWSA-N
MW340.38 g/mol
LogP2.38
Rot. Bonds7

About N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide

N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide (PubChem CID 122514143) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide
PubChem CID122514143
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide
SMILESO=C(/C=C/c1ccccc1NC(=O)c1cccc(CCCO)c1)NO
InChIInChI=1S/C19H20N2O4/c22-12-4-6-14-5-3-8-16(13-14)19(24)20-17-9-2-1-7-15(17)10-11-18(23)21-25/h1-3,5,7-11,13,22,25H,4,6,12H2,(H,20,24)(H,21,23)/b11-10+
InChIKeyWAHBUHFYGNGQAC-ZHACJKMWSA-N
XLogP2.38
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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)-N-hydroxy-3-[2-[[3-(3-hydroxypropyl)phenyl]methylamino]phenyl]prop-2-enamide;methyl (E)-3-[2-[[3-(3-hydroxypropyl)phenyl]methylamino]phenyl]prop-2-enoate
CID 160949012
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
CID 122514275
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
[3-[[2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108928135
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide
CID 122514304
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 122513986
N-(4-phenylbutyl)-3-(3-phenylprop-2-enoylamino)benzamide
CID 53245425
methyl 3-[6-[3-(3-hydroxypropyl)phenyl]hexyl]benzoate
CID 10043723
3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 62592259
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
N-butyl-3-(4-hydroxybutyl)benzamide
CID 54320849
N-[[1-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-phenylbutyl]carbamoyl]benzamide
CID 173151297

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide?
The IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide (CID 122514143) is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide.
What is the SMILES notation for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide?
The canonical SMILES for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide is O=C(/C=C/c1ccccc1NC(=O)c1cccc(CCCO)c1)NO.
What is the InChIKey of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide?
The InChIKey is WAHBUHFYGNGQAC-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-12-4-6-14-5-3-8-16(13-14)19(24)20-17-9-2-1-7-15(17)10-11-18(23)21-25/h1-3,5,7-11,13,22,25H,4,6,12H2,(H,20,24)(H,21,23)/b11-10+.
What are the key properties of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide?
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 122514143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).