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

C20H26N2O2 — CID 46200016

IUPAC(E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNC2C3CC4CC(C3)CC2C4)cc1)NO
InChIInChI=1S/C20H26N2O2/c23-19(22-24)6-5-13-1-3-14(4-2-13)12-21-20-17-8-15-7-16(10-17)11-18(20)9-15/h1-6,15-18,20-21,24H,7-12H2,(H,22,23)/b6-5+
InChIKeyAWSHEEWLEUGXPC-AATRIKPKSA-N
MW326.44 g/mol
LogP3.12
Rot. Bonds5

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

(E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 46200016) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID46200016
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNC2C3CC4CC(C3)CC2C4)cc1)NO
InChIInChI=1S/C20H26N2O2/c23-19(22-24)6-5-13-1-3-14(4-2-13)12-21-20-17-8-15-7-16(10-17)11-18(20)9-15/h1-6,15-18,20-21,24H,7-12H2,(H,22,23)/b6-5+
InChIKeyAWSHEEWLEUGXPC-AATRIKPKSA-N
XLogP3.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.12
H-Bond Donors ≤ 53
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'}

Analyze (E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-N-Hydroxy-3-(4-((methyl(tricyclo(3.3.1.13,7)dec-1-ylmethyl)amino)methyl)phenyl)-2-propenamide
CID 90479372
(E)-3-[4-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 45257238
(E)-3-[4-[(1-adamantylmethylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
CID 46199539
(e)-3-(4-((((3r,5r,7r)-adamantan-1-ylmethyl)(methyl)amino)methyl)-phenyl)-N-hydroxyacrylamide
CID 46199695
(E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide
CID 46200169
(E)-N-hydroxy-3-[4-[[1-(3-tricyclo[3.3.1.03,7]nonanyl)ethylamino]methyl]phenyl]prop-2-enamide
CID 73353363
N~1~-2-adamantyl-N~2~-benzylglycinamide hydrochloride
CID 2941724
(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide
CID 11088199
(2E)-3-{4-[(adamant-1-ylamino)methyl]phenyl}-N-hydroxy acrylamide
CID 46199387
(E)-3-[4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 46199391
(E)-3-[4-[[(3-chloro-1-adamantyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 46199537
(E)-N-hydroxy-3-[4-[[(3-phenyl-1-adamantyl)amino]methyl]phenyl]prop-2-enamide
CID 46199538

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide (CID 46200016) is (E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(CNC2C3CC4CC(C3)CC2C4)cc1)NO.
What is the InChIKey of (E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is AWSHEEWLEUGXPC-AATRIKPKSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(22-24)6-5-13-1-3-14(4-2-13)12-21-20-17-8-15-7-16(10-17)11-18(20)9-15/h1-6,15-18,20-21,24H,7-12H2,(H,22,23)/b6-5+.
What are the key properties of (E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 326.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 46200016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).