(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide

C21H24N2O5 — CID 19165851

IUPAC(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
SMILESCCCCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C21H24N2O5/c1-3-4-5-14-28-19-12-6-16(15-20(19)27-2)7-13-21(24)22-17-8-10-18(11-9-17)23(25)26/h6-13,15H,3-5,14H2,1-2H3,(H,22,24)/b13-7+
InChIKeyBDCZKZYLEPODFL-NTUHNPAUSA-N
MW384.43 g/mol
LogP4.82
Rot. Bonds10

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

(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide (PubChem CID 19165851) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is (E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
PubChem CID19165851
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
SMILESCCCCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C21H24N2O5/c1-3-4-5-14-28-19-12-6-16(15-20(19)27-2)7-13-21(24)22-17-8-10-18(11-9-17)23(25)26/h6-13,15H,3-5,14H2,1-2H3,(H,22,24)/b13-7+
InChIKeyBDCZKZYLEPODFL-NTUHNPAUSA-N
XLogP4.82
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3475022
N-(4-chloro-3-nitrophenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 5055275
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534554
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
3-(3-methoxy-4-pentoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4287630
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
butyl 4-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19169814
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
3-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]prop-2-enamide
CID 5230620
3-(4-hexoxy-3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 2791081
ethyl 2-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate
CID 19195292

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide (CID 19165851) is (E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide is CCCCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC.
What is the InChIKey of (E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide?
The InChIKey is BDCZKZYLEPODFL-NTUHNPAUSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-4-5-14-28-19-12-6-16(15-20(19)27-2)7-13-21(24)22-17-8-10-18(11-9-17)23(25)26/h6-13,15H,3-5,14H2,1-2H3,(H,22,24)/b13-7+.
What are the key properties of (E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide?
(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide has a molecular weight of 384.43 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 19165851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).