(E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide

C19H20N2O3 — CID 51417547

IUPAC(E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O3/c1-15(7-8-16-5-3-2-4-6-16)20-19(22)14-11-17-9-12-18(13-10-17)21(23)24/h2-6,9-15H,7-8H2,1H3,(H,20,22)/b14-11+/t15-/m0/s1
InChIKeyFHHUOSHVQPCJKV-GOFCXVBSSA-N
MW324.38 g/mol
LogP3.75
Rot. Bonds7

About (E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide

(E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide (PubChem CID 51417547) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
PubChem CID51417547
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O3/c1-15(7-8-16-5-3-2-4-6-16)20-19(22)14-11-17-9-12-18(13-10-17)21(23)24/h2-6,9-15H,7-8H2,1H3,(H,20,22)/b14-11+/t15-/m0/s1
InChIKeyFHHUOSHVQPCJKV-GOFCXVBSSA-N
XLogP3.75
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.75
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

[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 7860595
(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 1001333
(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
2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 102534941
(E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 51333617
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 7958328
(E)-N-[1-(furan-3-yl)propan-2-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 121127035
(2S)-2-amino-N-[(3S)-6-(4-nitrophenyl)-4-oxo-1-phenylhex-5-en-3-yl]-3-phenylpropanamide
CID 173299996
(E)-3-(4-nitrophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]prop-2-enamide
CID 51254594
3-(3,4-dimethoxyphenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 808594
3-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 3145412

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide (CID 51417547) is (E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide is C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide?
The InChIKey is FHHUOSHVQPCJKV-GOFCXVBSSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-15(7-8-16-5-3-2-4-6-16)20-19(22)14-11-17-9-12-18(13-10-17)21(23)24/h2-6,9-15H,7-8H2,1H3,(H,20,22)/b14-11+/t15-/m0/s1.
What are the key properties of (E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide?
(E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide is sourced from PubChem (CID 51417547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).