N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide

C24H22N2O3 — CID 3521340

IUPACN-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c27-24(15-14-19-8-7-13-22(18-19)26(28)29)25-17-16-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-15,18,23H,16-17H2,(H,25,27)
InChIKeyJPJDFFZCGIHDLN-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.95
Rot. Bonds8

About N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide

N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 3521340) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID3521340
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c27-24(15-14-19-8-7-13-22(18-19)26(28)29)25-17-16-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-15,18,23H,16-17H2,(H,25,27)
InChIKeyJPJDFFZCGIHDLN-UHFFFAOYSA-N
XLogP4.95
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.95
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-(3-nitrophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 2281810
(E)-3-(3-nitrophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 55462346
(E)-N-(2-tert-butylsulfanylethyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2283739
(E)-3-(3-nitrophenyl)-N-pent-3-ynylprop-2-enamide
CID 115979788
(Z)-N-dodecyl-3-(3-nitrophenyl)prop-2-enamide
CID 22301701
(E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 43008648
(Z)-N-[2-(4-fluorophenyl)ethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 2287879
(E)-3-(3-nitrophenyl)-N-prop-2-ynylprop-2-enamide
CID 27896773
(E)-N-[2-(2-fluorophenoxy)ethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7927597
methyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]acetate
CID 5060069
(E)-N-(2-bromoprop-2-enyl)-3-(3-nitrophenyl)prop-2-enamide
CID 47439285
(2S)-4-hydroxy-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid
CID 107821598

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide (CID 3521340) is N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide is O=C(C=Cc1cccc([N+](=O)[O-])c1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is JPJDFFZCGIHDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-24(15-14-19-8-7-13-22(18-19)26(28)29)25-17-16-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-15,18,23H,16-17H2,(H,25,27).
What are the key properties of N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide?
N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 386.45 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 3521340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).