(Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide

C22H18N2O3 — CID 92896876

IUPAC(Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide
SMILESO=C(/C=C\c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O3/c25-22(15-14-18-10-7-13-21(16-18)24(26)27)23(20-11-5-2-6-12-20)17-19-8-3-1-4-9-19/h1-16H,17H2/b15-14-
InChIKeyDUDANVRJAASBSY-PFONDFGASA-N
MW358.40 g/mol
LogP4.84
Rot. Bonds6

About (Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide

(Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide (PubChem CID 92896876) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide
PubChem CID92896876
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name(Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide
SMILESO=C(/C=C\c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O3/c25-22(15-14-18-10-7-13-21(16-18)24(26)27)23(20-11-5-2-6-12-20)17-19-8-3-1-4-9-19/h1-16H,17H2/b15-14-
InChIKeyDUDANVRJAASBSY-PFONDFGASA-N
XLogP4.84
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
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

N,N-diethyl-3-(3-nitrophenyl)prop-2-enamide
CID 692295
(E)-N-methyl-N-[(2-methylphenyl)methyl]-3-(3-nitrophenyl)prop-2-enamide
CID 34941873
(E)-N,N-bis[(2S)-butan-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 5415778
3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;dihydrobromide
CID 131882350
1-(4-benzylpiperazin-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 1371458
1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene
CID 56955352
3-(3-nitrophenyl)prop-2-enamide
CID 692292
(E)-4-(N-benzylanilino)-4-oxobut-2-enoic acid
CID 27407094
(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 26253511
(1E,4Z)-2-methyl-5-(3-nitrophenyl)-1-phenylpenta-1,4-dien-3-one
CID 92900023
(E)-3-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 122399973
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide?
The IUPAC name of (Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide (CID 92896876) is (Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide is O=C(/C=C\c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide?
The InChIKey is DUDANVRJAASBSY-PFONDFGASA-N. The full InChI is InChI=1S/C22H18N2O3/c25-22(15-14-18-10-7-13-21(16-18)24(26)27)23(20-11-5-2-6-12-20)17-19-8-3-1-4-9-19/h1-16H,17H2/b15-14-.
What are the key properties of (Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide?
(Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide has a molecular weight of 358.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 92896876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).