(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide

C14H16N2O4 — CID 83202528

IUPAC(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)NOC1CCCC1
InChIInChI=1S/C14H16N2O4/c17-14(15-20-13-6-1-2-7-13)9-8-11-4-3-5-12(10-11)16(18)19/h3-5,8-10,13H,1-2,6-7H2,(H,15,17)/b9-8+
InChIKeyNEQCVDWIXOHTGZ-CMDGGOBGSA-N
MW276.29 g/mol
LogP2.60
Rot. Bonds5

About (E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide

(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 83202528) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide
PubChem CID83202528
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)NOC1CCCC1
InChIInChI=1S/C14H16N2O4/c17-14(15-20-13-6-1-2-7-13)9-8-11-4-3-5-12(10-11)16(18)19/h3-5,8-10,13H,1-2,6-7H2,(H,15,17)/b9-8+
InChIKeyNEQCVDWIXOHTGZ-CMDGGOBGSA-N
XLogP2.60
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.60
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)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 46487620
(E)-N-[(1S,2R)-2-methylcyclohexyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7478919
(E)-N-[(cyclohexanecarbonylamino)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17176422
3-(3-nitrophenyl)prop-2-enamide
CID 692292
(Z)-3-(3-nitrophenyl)-N-[4-[[4-[[(Z)-3-(3-nitrophenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide
CID 99060409
[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea
CID 102535057
(E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 98271556
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 142654600
3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide
CID 4992923
[4-[3-(3-nitrophenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(3-nitrophenyl)prop-2-enoate
CID 4573484
methyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]acetate
CID 5060069

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide (CID 83202528) is (E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide is O=C(/C=C/c1cccc([N+](=O)[O-])c1)NOC1CCCC1.
What is the InChIKey of (E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is NEQCVDWIXOHTGZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-14(15-20-13-6-1-2-7-13)9-8-11-4-3-5-12(10-11)16(18)19/h3-5,8-10,13H,1-2,6-7H2,(H,15,17)/b9-8+.
What are the key properties of (E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 276.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 83202528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).