(Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one

C18H19NO — CID 10934378

IUPAC(Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one
SMILESC/C(=C/C(=O)c1ccccc1)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H19NO/c1-14(13-18(20)17-11-7-4-8-12-17)19-15(2)16-9-5-3-6-10-16/h3-13,15,19H,1-2H3/b14-13-/t15-/m1/s1
InChIKeyCMYSYFXOFMWQIA-SEWDUPMJSA-N
MW265.36 g/mol
LogP4.12
Rot. Bonds5

About (Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one

(Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one (PubChem CID 10934378) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one
PubChem CID10934378
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one
SMILESC/C(=C/C(=O)c1ccccc1)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H19NO/c1-14(13-18(20)17-11-7-4-8-12-17)19-15(2)16-9-5-3-6-10-16/h3-13,15,19H,1-2H3/b14-13-/t15-/m1/s1
InChIKeyCMYSYFXOFMWQIA-SEWDUPMJSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(4-methylphenyl)-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one
CID 897823
(E)-1-(4-chlorophenyl)-3-(1-phenylethylamino)but-2-en-1-one
CID 6240831
methyl (Z)-3-[[(1S)-1-phenylethyl]amino]but-2-enoate
CID 11009469
(E)-1,1,1-trifluoro-4-(1-phenylethylamino)pent-3-en-2-one
CID 6219497
ethyl (Z)-3-[[(1R)-1-phenylethyl]amino]but-2-enoate
CID 15947944
(E)-3-phenyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]prop-2-enamide
CID 51411566
prop-2-enyl (Z)-3-[[(1R)-1-phenylethyl]amino]but-2-enoate
CID 10999315
(Z)-3-methyl-4-oxo-4-(1-phenylethylamino)but-2-enoic acid
CID 56726263
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide
CID 14362564
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one?
The IUPAC name of (Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one (CID 10934378) is (Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one.
What is the SMILES notation for (Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one?
The canonical SMILES for (Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one is C/C(=C/C(=O)c1ccccc1)N[C@H](C)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one?
The InChIKey is CMYSYFXOFMWQIA-SEWDUPMJSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(13-18(20)17-11-7-4-8-12-17)19-15(2)16-9-5-3-6-10-16/h3-13,15,19H,1-2H3/b14-13-/t15-/m1/s1.
What are the key properties of (Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one?
(Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one is sourced from PubChem (CID 10934378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).