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

C19H20N2O4 — CID 17186941

IUPAC(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCCCCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-2-3-14-25-18-11-7-16(8-12-18)20-19(22)13-6-15-4-9-17(10-5-15)21(23)24/h4-13H,2-3,14H2,1H3,(H,20,22)/b13-6+
InChIKeyXSAQFZMMCJSEDM-AWNIVKPZSA-N
MW340.38 g/mol
LogP4.43
Rot. Bonds8

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

(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 17186941) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID17186941
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCCCCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-2-3-14-25-18-11-7-16(8-12-18)20-19(22)13-6-15-4-9-17(10-5-15)21(23)24/h4-13H,2-3,14H2,1H3,(H,20,22)/b13-6+
InChIKeyXSAQFZMMCJSEDM-AWNIVKPZSA-N
XLogP4.43
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186952
(E)-N-[(4-hexoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187254
(E)-3-(4-nitrophenyl)-N-[(4-propoxyphenyl)carbamothioyl]prop-2-enamide
CID 17187257
3-(4-nitrophenyl)-N-[4-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 5115471
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
4-hexoxy-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 17187078
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 19165851
(Z)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 3127031
N-(2-butoxy-5-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 76861901
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide (CID 17186941) is (E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide is CCCCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is XSAQFZMMCJSEDM-AWNIVKPZSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-3-14-25-18-11-7-16(8-12-18)20-19(22)13-6-15-4-9-17(10-5-15)21(23)24/h4-13H,2-3,14H2,1H3,(H,20,22)/b13-6+.
What are the key properties of (E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 340.38 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 17186941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).