N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide

C18H20N2O3 — CID 85390507

IUPACN-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(CNCCOc2ccccc2)cc1)NO
InChIInChI=1S/C18H20N2O3/c21-18(20-22)11-10-15-6-8-16(9-7-15)14-19-12-13-23-17-4-2-1-3-5-17/h1-11,19,22H,12-14H2,(H,20,21)
InChIKeyLTSQRCBVRANAJI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.37
Rot. Bonds8

About N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide

N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide (PubChem CID 85390507) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide
PubChem CID85390507
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(CNCCOc2ccccc2)cc1)NO
InChIInChI=1S/C18H20N2O3/c21-18(20-22)11-10-15-6-8-16(9-7-15)14-19-12-13-23-17-4-2-1-3-5-17/h1-11,19,22H,12-14H2,(H,20,21)
InChIKeyLTSQRCBVRANAJI-UHFFFAOYSA-N
XLogP2.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
CID 39585351
methyl 4-[(E)-3-oxo-3-(2-phenoxyethylamino)prop-1-enyl]benzoate
CID 26903189
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
(2S)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
CID 87239867
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
(E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 87310494
N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide
CID 136507162
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699
ethane;(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 156839616
(E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150430
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;hydrate
CID 76972289

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide (CID 85390507) is N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide is O=C(C=Cc1ccc(CNCCOc2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide?
The InChIKey is LTSQRCBVRANAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(20-22)11-10-15-6-8-16(9-7-15)14-19-12-13-23-17-4-2-1-3-5-17/h1-11,19,22H,12-14H2,(H,20,21).
What are the key properties of N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide?
N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 85390507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).