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

C19H20N2O3 — CID 2186661

IUPAC(Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O3/c1-15(11-12-16-7-3-2-4-8-16)20-19(22)14-13-17-9-5-6-10-18(17)21(23)24/h2-10,13-15H,11-12H2,1H3,(H,20,22)/b14-13-/t15-/m0/s1
InChIKeyDUKYUTFWQHDVJZ-PLFFATQSSA-N
MW324.38 g/mol
LogP3.75
Rot. Bonds7

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

(Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide (PubChem CID 2186661) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
PubChem CID2186661
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O3/c1-15(11-12-16-7-3-2-4-8-16)20-19(22)14-13-17-9-5-6-10-18(17)21(23)24/h2-10,13-15H,11-12H2,1H3,(H,20,22)/b14-13-/t15-/m0/s1
InChIKeyDUKYUTFWQHDVJZ-PLFFATQSSA-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

(E)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 889264
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-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 51417547
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]pentanoic acid
CID 43630377
(E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 17327125
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947
3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide
CID 75127327
3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 2931488
N-(4-phenylbutan-2-yl)hexa-2,4-dienamide
CID 78784970
(E)-N-[(2-methylphenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 9104688
(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 1001333

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide (CID 2186661) is (Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide is C[C@@H](CCc1ccccc1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-].
What is the InChIKey of (Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide?
The InChIKey is DUKYUTFWQHDVJZ-PLFFATQSSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-15(11-12-16-7-3-2-4-8-16)20-19(22)14-13-17-9-5-6-10-18(17)21(23)24/h2-10,13-15H,11-12H2,1H3,(H,20,22)/b14-13-/t15-/m0/s1.
What are the key properties of (Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide?
(Z)-3-(2-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 (Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide is sourced from PubChem (CID 2186661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).