(E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide

C21H27NO3 — CID 145129235

IUPAC(E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide
SMILESCCCC(CCCc1ccccc1)Cc1ccc(/C=C/C(=O)NO)o1
InChIInChI=1S/C21H27NO3/c1-2-7-18(11-6-10-17-8-4-3-5-9-17)16-20-13-12-19(25-20)14-15-21(23)22-24/h3-5,8-9,12-15,18,24H,2,6-7,10-11,16H2,1H3,(H,22,23)/b15-14+
InChIKeyJHCHZNUPJRRANX-CCEZHUSRSA-N
MW341.45 g/mol
LogP4.78
Rot. Bonds10

About (E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide

(E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide (PubChem CID 145129235) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide
PubChem CID145129235
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide
SMILESCCCC(CCCc1ccccc1)Cc1ccc(/C=C/C(=O)NO)o1
InChIInChI=1S/C21H27NO3/c1-2-7-18(11-6-10-17-8-4-3-5-9-17)16-20-13-12-19(25-20)14-15-21(23)22-24/h3-5,8-9,12-15,18,24H,2,6-7,10-11,16H2,1H3,(H,22,23)/b15-14+
InChIKeyJHCHZNUPJRRANX-CCEZHUSRSA-N
XLogP4.78
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[[1-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-phenylbutyl]carbamoyl]benzamide
CID 173151297
(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579472
3-(3-phenylpropyl)octadecanoic acid
CID 146469520
(E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide
CID 107861463
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
2-propylhept-6-enylbenzene
CID 123998172
(E)-3-[3-amino-4-[methyl(3-phenylpropyl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 59528988
(E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
CID 7710923
4-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-propan-2-ylbutanamide
CID 118362813
6-benzyldecylbenzene
CID 54156815
(E)-N-hydroxy-3-[1-(3-phenylpropyl)triazol-4-yl]prop-2-enamide
CID 135903294
N-(5-phenyl-2-propylpentyl)cyclopropanamine
CID 63498686

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide (CID 145129235) is (E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide is CCCC(CCCc1ccccc1)Cc1ccc(/C=C/C(=O)NO)o1.
What is the InChIKey of (E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide?
The InChIKey is JHCHZNUPJRRANX-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H27NO3/c1-2-7-18(11-6-10-17-8-4-3-5-9-17)16-20-13-12-19(25-20)14-15-21(23)22-24/h3-5,8-9,12-15,18,24H,2,6-7,10-11,16H2,1H3,(H,22,23)/b15-14+.
What are the key properties of (E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide?
(E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide has a molecular weight of 341.45 g/mol, XLogP of 4.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[5-(5-phenyl-2-propylpentyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 145129235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).