(E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide

C25H26N2O — CID 51411566

IUPAC(E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide
SMILESC[C@H](N/C(=C/C(=O)N[C@H](C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O/c1-19(21-12-6-3-7-13-21)26-24(23-16-10-5-11-17-23)18-25(28)27-20(2)22-14-8-4-9-15-22/h3-20,26H,1-2H3,(H,27,28)/b24-18+/t19-,20+/m0/s1
InChIKeyRELZJOZXRBOZIZ-SSPHSRQNSA-N
MW370.50 g/mol
LogP5.26
Rot. Bonds7

About (E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide

(E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide (PubChem CID 51411566) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is (E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide
PubChem CID51411566
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name(E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide
SMILESC[C@H](N/C(=C/C(=O)N[C@H](C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O/c1-19(21-12-6-3-7-13-21)26-24(23-16-10-5-11-17-23)18-25(28)27-20(2)22-14-8-4-9-15-22/h3-20,26H,1-2H3,(H,27,28)/b24-18+/t19-,20+/m0/s1
InChIKeyRELZJOZXRBOZIZ-SSPHSRQNSA-N
XLogP5.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide with MolForge

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Related Compounds

ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
CID 15456276
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
CID 51032017
(E)-4,4,4-trifluoro-N-[(1R)-1-phenylethyl]-3-[[(1R)-1-phenylethyl]amino]but-2-enamide
CID 44889670
N-[(1R)-1-phenylethyl]but-2-enamide
CID 778457
(Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one
CID 10934378
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
4-oxo-4-(1-phenylethylamino)but-2-enoate
CID 4157089
(E)-3-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315117
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
(Z)-3-methyl-4-oxo-4-(1-phenylethylamino)but-2-enoic acid
CID 56726263
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide (CID 51411566) is (E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide is C[C@H](N/C(=C/C(=O)N[C@H](C)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide?
The InChIKey is RELZJOZXRBOZIZ-SSPHSRQNSA-N. The full InChI is InChI=1S/C25H26N2O/c1-19(21-12-6-3-7-13-21)26-24(23-16-10-5-11-17-23)18-25(28)27-20(2)22-14-8-4-9-15-22/h3-20,26H,1-2H3,(H,27,28)/b24-18+/t19-,20+/m0/s1.
What are the key properties of (E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide?
(E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide has a molecular weight of 370.50 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide is sourced from PubChem (CID 51411566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).