N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide

C17H16N2O3 — CID 844866

IUPACN-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C17H16N2O3/c1-2-13-5-3-7-15(11-13)18-17(20)10-9-14-6-4-8-16(12-14)19(21)22/h3-12H,2H2,1H3,(H,18,20)
InChIKeyCCUVUVPDBCRSLE-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.81
Rot. Bonds5

About N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide

N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 844866) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID844866
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C17H16N2O3/c1-2-13-5-3-7-15(11-13)18-17(20)10-9-14-6-4-8-16(12-14)19(21)22/h3-12H,2H2,1H3,(H,18,20)
InChIKeyCCUVUVPDBCRSLE-UHFFFAOYSA-N
XLogP3.81
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chloro-3-nitrophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 7699851
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
3-[3-(3-nitrophenyl)prop-2-enoylamino]benzoic acid
CID 54024804
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]butanamide
CID 17202592
[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl] acetate
CID 17341743
(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6266202
(E)-3-(3-nitrophenyl)-N-[4-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 18284824
N,N-dimethyl-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 17231938
(Z)-N-[4-[(2S)-butan-2-yl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 2268619
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 844866) is N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide is CCc1cccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is CCUVUVPDBCRSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-13-5-3-7-15(11-13)18-17(20)10-9-14-6-4-8-16(12-14)19(21)22/h3-12H,2H2,1H3,(H,18,20).
What are the key properties of N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 844866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).