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

C17H17NO — CID 7074355

IUPAC3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-14(16-10-6-3-7-11-16)18-17(19)13-12-15-8-4-2-5-9-15/h2-14H,1H3,(H,18,19)/t14-/m0/s1
InChIKeyGULDKCIYDPMQQB-AWEZNQCLSA-N
MW251.33 g/mol
LogP3.58
Rot. Bonds4

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

3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide (PubChem CID 7074355) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
PubChem CID7074355
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-14(16-10-6-3-7-11-16)18-17(19)13-12-15-8-4-2-5-9-15/h2-14H,1H3,(H,18,19)/t14-/m0/s1
InChIKeyGULDKCIYDPMQQB-AWEZNQCLSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 9330259
(E)-3-(3-aminophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 79023784
N-[(1R)-1-phenylethyl]but-2-enamide
CID 778457
(E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide
CID 17393178
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
(E)-3-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315117
4-oxo-4-(1-phenylethylamino)but-2-enoate
CID 4157089
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
(2R)-3-methyl-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 79011095
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide?
The IUPAC name of 3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide (CID 7074355) is 3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide?
The canonical SMILES for 3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide is C[C@H](NC(=O)C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide?
The InChIKey is GULDKCIYDPMQQB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17NO/c1-14(16-10-6-3-7-11-16)18-17(19)13-12-15-8-4-2-5-9-15/h2-14H,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of 3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide?
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide has a molecular weight of 251.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 7074355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).