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

C18H18N2O3 — CID 75127327

IUPAC3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide
SMILESCC(CNC(=O)C=Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-14(15-7-3-2-4-8-15)13-19-18(21)12-11-16-9-5-6-10-17(16)20(22)23/h2-12,14H,13H2,1H3,(H,19,21)
InChIKeyLTWMZTDQSOQBHP-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.53
Rot. Bonds6

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

3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide (PubChem CID 75127327) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide
PubChem CID75127327
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide
SMILESCC(CNC(=O)C=Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-14(15-7-3-2-4-8-15)13-19-18(21)12-11-16-9-5-6-10-17(16)20(22)23/h2-12,14H,13H2,1H3,(H,19,21)
InChIKeyLTWMZTDQSOQBHP-UHFFFAOYSA-N
XLogP3.53
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.53
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-(2-phenylpropyl)prop-2-enamide
CID 24636622
2-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 679490
(E)-N-(2-methylprop-2-enyl)-3-(2-nitrophenyl)prop-2-enamide
CID 114618670
(E)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 51931070
4-[3-(2-nitrophenyl)prop-2-enoylamino]pentanoic acid
CID 77020458
N-(4-hydroxybutan-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 3095163
(E)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 889264
(Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 2186661
(E)-3-(2-nitrophenyl)-N-octylprop-2-enamide
CID 70513240
(E)-N-[(2-methylphenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 9104688
(E)-3-(2-nitrophenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 26676963
(Z)-5-(2-nitrophenyl)-3-oxopent-4-enoic acid
CID 70083415

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide?
The IUPAC name of 3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide (CID 75127327) is 3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide?
The canonical SMILES for 3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide is CC(CNC(=O)C=Cc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide?
The InChIKey is LTWMZTDQSOQBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-14(15-7-3-2-4-8-15)13-19-18(21)12-11-16-9-5-6-10-17(16)20(22)23/h2-12,14H,13H2,1H3,(H,19,21).
What are the key properties of 3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide?
3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 75127327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).