(E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide

C20H20N2O4 — CID 46487620

IUPAC(E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H20N2O4/c23-20(13-8-15-4-3-5-17(14-15)22(24)25)21-16-9-11-19(12-10-16)26-18-6-1-2-7-18/h3-5,8-14,18H,1-2,6-7H2,(H,21,23)/b13-8+
InChIKeyPZOTVQXYWLBAQY-MDWZMJQESA-N
MW352.39 g/mol
LogP4.57
Rot. Bonds6

About (E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide

(E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 46487620) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID46487620
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H20N2O4/c23-20(13-8-15-4-3-5-17(14-15)22(24)25)21-16-9-11-19(12-10-16)26-18-6-1-2-7-18/h3-5,8-14,18H,1-2,6-7H2,(H,21,23)/b13-8+
InChIKeyPZOTVQXYWLBAQY-MDWZMJQESA-N
XLogP4.57
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide
CID 83202528
(E)-N-[4-(difluoromethoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7719725
(E)-3-(3-nitrophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17176026
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
(E)-3-(3-nitrophenyl)-N-[4-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 18284824
(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6266202
(E)-3-(3-nitrophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 38175952
3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5200736
N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17176112
(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 115342730

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 46487620) is (E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide is O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of (E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is PZOTVQXYWLBAQY-MDWZMJQESA-N. The full InChI is InChI=1S/C20H20N2O4/c23-20(13-8-15-4-3-5-17(14-15)22(24)25)21-16-9-11-19(12-10-16)26-18-6-1-2-7-18/h3-5,8-14,18H,1-2,6-7H2,(H,21,23)/b13-8+.
What are the key properties of (E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 352.39 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 46487620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).