(2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide

C25H33NO2 — CID 102384838

IUPAC(2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide
SMILESC=CC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)[C@@H](CCC)c1ccccc1
InChIInChI=1S/C25H33NO2/c1-5-13-22(20-15-9-7-10-16-20)23(14-6-2)25(28)26(4)19(3)24(27)21-17-11-8-12-18-21/h6-12,15-19,22-24,27H,2,5,13-14H2,1,3-4H3/t19-,22-,23-,24+/m0/s1
InChIKeyDHCOHBWQVOTHDI-ZNEWLNCYSA-N
MW379.54 g/mol
LogP5.34
Rot. Bonds10

About (2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide

(2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide (PubChem CID 102384838) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is (2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide.

Molecular Properties

Compound Name(2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide
PubChem CID102384838
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name(2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide
SMILESC=CC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)[C@@H](CCC)c1ccccc1
InChIInChI=1S/C25H33NO2/c1-5-13-22(20-15-9-7-10-16-20)23(14-6-2)25(28)26(4)19(3)24(27)21-17-11-8-12-18-21/h6-12,15-19,22-24,27H,2,5,13-14H2,1,3-4H3/t19-,22-,23-,24+/m0/s1
InChIKeyDHCOHBWQVOTHDI-ZNEWLNCYSA-N
XLogP5.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867302
(2R)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867301
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(3-iodopropyl)-N-methylpent-4-enamide
CID 89060365
2-(3-chloropropyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpent-4-enamide
CID 67252130
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
(2S)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)pent-4-enamide
CID 100985394
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
(4S)-4-[(R)-hydroxy(phenyl)methyl]-2-methylhept-6-en-3-one
CID 101163130
(2S)-2-(1,3-benzodioxol-5-yl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpent-4-enamide
CID 100985395
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide
CID 54856883

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide?
The IUPAC name of (2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide (CID 102384838) is (2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide.
What is the SMILES notation for (2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide?
The canonical SMILES for (2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide is C=CC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)[C@@H](CCC)c1ccccc1.
What is the InChIKey of (2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide?
The InChIKey is DHCOHBWQVOTHDI-ZNEWLNCYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-5-13-22(20-15-9-7-10-16-20)23(14-6-2)25(28)26(4)19(3)24(27)21-17-11-8-12-18-21/h6-12,15-19,22-24,27H,2,5,13-14H2,1,3-4H3/t19-,22-,23-,24+/m0/s1.
What are the key properties of (2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide?
(2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide has a molecular weight of 379.54 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-prop-2-enylhexanamide is sourced from PubChem (CID 102384838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).