(E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide

C21H24N2O2 — CID 110306089

IUPAC(E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)N[C@H](C(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-15(2)22-21(25)19(18-12-8-5-9-13-18)23-20(24)16(3)14-17-10-6-4-7-11-17/h4-15,19H,1-3H3,(H,22,25)(H,23,24)/b16-14+/t19-/m0/s1
InChIKeyIGSBVCHEALGPEG-IDCODDLRSA-N
MW336.44 g/mol
LogP3.47
Rot. Bonds6

About (E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide

(E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide (PubChem CID 110306089) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide
PubChem CID110306089
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)N[C@H](C(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-15(2)22-21(25)19(18-12-8-5-9-13-18)23-20(24)16(3)14-17-10-6-4-7-11-17/h4-15,19H,1-3H3,(H,22,25)(H,23,24)/b16-14+/t19-/m0/s1
InChIKeyIGSBVCHEALGPEG-IDCODDLRSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 6247193
(E)-2-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306209
(E)-2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306183
4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286608
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
2-[[2-(dimethylamino)-2-phenylacetyl]amino]-2-phenyl-N-propan-2-ylacetamide
CID 110626026
(Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 716253
4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286605
N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 110286640
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 47075853

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide (CID 110306089) is (E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)N[C@H](C(=O)NC(C)C)c1ccccc1.
What is the InChIKey of (E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide?
The InChIKey is IGSBVCHEALGPEG-IDCODDLRSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)22-21(25)19(18-12-8-5-9-13-18)23-20(24)16(3)14-17-10-6-4-7-11-17/h4-15,19H,1-3H3,(H,22,25)(H,23,24)/b16-14+/t19-/m0/s1.
What are the key properties of (E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide?
(E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 110306089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).