2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide

C20H20N2O3 — CID 54029656

IUPAC2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)C(C=O)=Cc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-21-20(25)18(13-16-10-6-3-7-11-16)22-19(24)17(14-23)12-15-8-4-2-5-9-15/h2-12,14,18H,13H2,1H3,(H,21,25)(H,22,24)
InChIKeyWTHSDUZWWMLGGO-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.74
Rot. Bonds7

About 2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide

2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide (PubChem CID 54029656) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
PubChem CID54029656
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)C(C=O)=Cc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-21-20(25)18(13-16-10-6-3-7-11-16)22-19(24)17(14-23)12-15-8-4-2-5-9-15/h2-12,14,18H,13H2,1H3,(H,21,25)(H,22,24)
InChIKeyWTHSDUZWWMLGGO-UHFFFAOYSA-N
XLogP1.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-formamido-N-methyl-3-phenylpropanamide
CID 14245854
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 143986713
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
(2R)-2-amino-3-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11003677
N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide
CID 10345646
(2R)-2-[(2-acetamido-3-phenylprop-2-enoyl)amino]-3-phenylpropanoic acid
CID 7031698
2-[(2-acetamido-3-phenylprop-2-enoyl)amino]-3-phenylpropanoic acid
CID 2837460
2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 142588377
(2S)-2-amino-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 18394511

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of 2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide (CID 54029656) is 2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for 2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for 2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide is CNC(=O)C(Cc1ccccc1)NC(=O)C(C=O)=Cc1ccccc1.
What is the InChIKey of 2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
The InChIKey is WTHSDUZWWMLGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-21-20(25)18(13-16-10-6-3-7-11-16)22-19(24)17(14-23)12-15-8-4-2-5-9-15/h2-12,14,18H,13H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide has a molecular weight of 336.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 54029656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).