2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

C22H28N2O2 — CID 24938979

IUPAC2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESC=CCN(CC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-4-15-24(16-19-11-7-5-8-12-19)17-21(25)23(3)18(2)22(26)20-13-9-6-10-14-20/h4-14,18,22,26H,1,15-17H2,2-3H3/t18-,22+/m0/s1
InChIKeyGOFPITGAVVMHRU-PGRDOPGGSA-N
MW352.48 g/mol
LogP3.26
Rot. Bonds9

About 2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (PubChem CID 24938979) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
PubChem CID24938979
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESC=CCN(CC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-4-15-24(16-19-11-7-5-8-12-19)17-21(25)23(3)18(2)22(26)20-13-9-6-10-14-20/h4-14,18,22,26H,1,15-17H2,2-3H3/t18-,22+/m0/s1
InChIKeyGOFPITGAVVMHRU-PGRDOPGGSA-N
XLogP3.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
(3S)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 11179393
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide
CID 87033932
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
(2R)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867301
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867302
(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
CID 11064277
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
(E)-N-benzyl-2-bromo-N-prop-2-enylbut-2-en-1-amine
CID 10612741
2-[benzyl(ethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86908379
(4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide
CID 145264220

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The IUPAC name of 2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (CID 24938979) is 2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide is C=CCN(CC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The InChIKey is GOFPITGAVVMHRU-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-15-24(16-19-11-7-5-8-12-19)17-21(25)23(3)18(2)22(26)20-13-9-6-10-14-20/h4-14,18,22,26H,1,15-17H2,2-3H3/t18-,22+/m0/s1.
What are the key properties of 2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide has a molecular weight of 352.48 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide is sourced from PubChem (CID 24938979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).