(E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide

C19H20N2O3 — CID 17328320

IUPAC(E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O3/c1-3-18(16-10-7-14(2)8-11-16)20-19(22)12-9-15-5-4-6-17(13-15)21(23)24/h4-13,18H,3H2,1-2H3,(H,20,22)/b12-9+
InChIKeyZMDRSBHQCSMXAB-FMIVXFBMSA-N
MW324.38 g/mol
LogP4.18
Rot. Bonds6

About (E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide

(E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 17328320) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide
PubChem CID17328320
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O3/c1-3-18(16-10-7-14(2)8-11-16)20-19(22)12-9-15-5-4-6-17(13-15)21(23)24/h4-13,18H,3H2,1-2H3,(H,20,22)/b12-9+
InChIKeyZMDRSBHQCSMXAB-FMIVXFBMSA-N
XLogP4.18
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.18
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)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17328319
(E)-3-(3-nitrophenyl)-N-[(2R)-pentan-2-yl]prop-2-enamide
CID 2209794
(E)-N-(1-hydroxypropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 43419229
(Z)-N-[4-[(2S)-butan-2-yl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 2268619
3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid
CID 43092456
(E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 43916276
N-(1-aminopentan-2-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 77058210
(2S)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 7581904
(Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 43911521
(E)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 55338990
(E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 92680336
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 844531

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide (CID 17328320) is (E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide is CCC(NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1.
What is the InChIKey of (E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is ZMDRSBHQCSMXAB-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-18(16-10-7-14(2)8-11-16)20-19(22)12-9-15-5-4-6-17(13-15)21(23)24/h4-13,18H,3H2,1-2H3,(H,20,22)/b12-9+.
What are the key properties of (E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 17328320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).