(E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide

C20H34N4O2 — CID 143424498

IUPAC(E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCCCCN(CC)CCN(CCC)c1ccc(/C=C/C(=O)NO)cc1N
InChIInChI=1S/C20H34N4O2/c1-4-7-13-23(6-3)14-15-24(12-5-2)19-10-8-17(16-18(19)21)9-11-20(25)22-26/h8-11,16,26H,4-7,12-15,21H2,1-3H3,(H,22,25)/b11-9+
InChIKeyIQTRCCIHSSERQM-PKNBQFBNSA-N
MW362.52 g/mol
LogP3.13
Rot. Bonds12

About (E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 143424498) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is (E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID143424498
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name(E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCCCCN(CC)CCN(CCC)c1ccc(/C=C/C(=O)NO)cc1N
InChIInChI=1S/C20H34N4O2/c1-4-7-13-23(6-3)14-15-24(12-5-2)19-10-8-17(16-18(19)21)9-11-20(25)22-26/h8-11,16,26H,4-7,12-15,21H2,1-3H3,(H,22,25)/b11-9+
InChIKeyIQTRCCIHSSERQM-PKNBQFBNSA-N
XLogP3.13
TPSA81.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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'}

Analyze (E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]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

(E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 59528988
3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74424772
(E)-3-[3-[[butyl(ethyl)amino]methyl]-2-ethylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25063459
(E)-3-[1-[3-[ethyl(propyl)amino]propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 143019515
(Z)-3-(3-amino-4-methoxyphenyl)-N-[3-(diethylamino)propyl]prop-2-enamide
CID 82152836
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
CID 20579481
3-[1-[2-[butyl(2,2,2-trifluoroethyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 76538796
(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579472
3-amino-4-(dibutylamino)benzamide
CID 43448369
(E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide
CID 42613822
3-[2-butyl-3-[[butyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74371496
(E)-3-[1-[[butyl(2,2,2-trifluoroethyl)amino]methyliodanuidyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 163940835

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide (CID 143424498) is (E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide is CCCCN(CC)CCN(CCC)c1ccc(/C=C/C(=O)NO)cc1N.
What is the InChIKey of (E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is IQTRCCIHSSERQM-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-4-7-13-23(6-3)14-15-24(12-5-2)19-10-8-17(16-18(19)21)9-11-20(25)22-26/h8-11,16,26H,4-7,12-15,21H2,1-3H3,(H,22,25)/b11-9+.
What are the key properties of (E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 362.52 g/mol, XLogP of 3.13, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 143424498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).