(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'}

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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).