N,N-bis[(1R)-1-phenylethyl]prop-2-enamide

C19H21NO — CID 12031722

IUPACN,N-bis[(1R)-1-phenylethyl]prop-2-enamide
SMILESC=CC(=O)N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C19H21NO/c1-4-19(21)20(15(2)17-11-7-5-8-12-17)16(3)18-13-9-6-10-14-18/h4-16H,1H2,2-3H3/t15-,16-/m1/s1
InChIKeyWWVKGBMQXURYCB-HZPDHXFCSA-N
MW279.38 g/mol
LogP4.52
Rot. Bonds5

About N,N-bis[(1R)-1-phenylethyl]prop-2-enamide

N,N-bis[(1R)-1-phenylethyl]prop-2-enamide (PubChem CID 12031722) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N,N-bis[(1R)-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound NameN,N-bis[(1R)-1-phenylethyl]prop-2-enamide
PubChem CID12031722
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN,N-bis[(1R)-1-phenylethyl]prop-2-enamide
SMILESC=CC(=O)N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C19H21NO/c1-4-19(21)20(15(2)17-11-7-5-8-12-17)16(3)18-13-9-6-10-14-18/h4-16H,1H2,2-3H3/t15-,16-/m1/s1
InChIKeyWWVKGBMQXURYCB-HZPDHXFCSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-bis[(1R)-1-phenylethyl]prop-2-enamide 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

N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide
CID 67100741
N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 101152231
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
(2S)-2-amino-N,N-bis[(1S)-1-phenylethyl]propanamide
CID 101049938
fluoro(1-phenylethyl)carbamic acid
CID 152621646
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
methyl(1-phenylethyl)carbamic acid
CID 67062794
3-oxo-3-[[(1S)-1-phenylethyl]-propan-2-ylamino]propanoic acid
CID 15546984
2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide
CID 117059844
(E)-N-[(2S)-4-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]but-2-enamide
CID 11184518
N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
CID 166408201

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(1R)-1-phenylethyl]prop-2-enamide?
The IUPAC name of N,N-bis[(1R)-1-phenylethyl]prop-2-enamide (CID 12031722) is N,N-bis[(1R)-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for N,N-bis[(1R)-1-phenylethyl]prop-2-enamide?
The canonical SMILES for N,N-bis[(1R)-1-phenylethyl]prop-2-enamide is C=CC(=O)N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1.
What is the InChIKey of N,N-bis[(1R)-1-phenylethyl]prop-2-enamide?
The InChIKey is WWVKGBMQXURYCB-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-19(21)20(15(2)17-11-7-5-8-12-17)16(3)18-13-9-6-10-14-18/h4-16H,1H2,2-3H3/t15-,16-/m1/s1.
What are the key properties of N,N-bis[(1R)-1-phenylethyl]prop-2-enamide?
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide has a molecular weight of 279.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(1R)-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 12031722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).