(2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide

C23H29NO2 — CID 102389196

IUPAC(2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@](C)(Cc1ccccc1)C1CC1
InChIInChI=1S/C23H29NO2/c1-17(21(25)19-12-8-5-9-13-19)24(3)22(26)23(2,20-14-15-20)16-18-10-6-4-7-11-18/h4-13,17,20-21,25H,14-16H2,1-3H3/t17-,21+,23-/m0/s1
InChIKeyDARGAZADIYDSMC-LXBDKUERSA-N
MW351.49 g/mol
LogP4.23
Rot. Bonds7

About (2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide

(2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide (PubChem CID 102389196) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
PubChem CID102389196
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@](C)(Cc1ccccc1)C1CC1
InChIInChI=1S/C23H29NO2/c1-17(21(25)19-12-8-5-9-13-19)24(3)22(26)23(2,20-14-15-20)16-18-10-6-4-7-11-18/h4-13,17,20-21,25H,14-16H2,1-3H3/t17-,21+,23-/m0/s1
InChIKeyDARGAZADIYDSMC-LXBDKUERSA-N
XLogP4.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 83154352
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
tert-butyl N-[(2R,3S)-3-hydroxy-5-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-5-oxo-1-phenylpentan-2-yl]-N-methylcarbamate
CID 51031967
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide
CID 102384841
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849
(3S)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 11179393
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide (CID 102389196) is (2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@](C)(Cc1ccccc1)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The InChIKey is DARGAZADIYDSMC-LXBDKUERSA-N. The full InChI is InChI=1S/C23H29NO2/c1-17(21(25)19-12-8-5-9-13-19)24(3)22(26)23(2,20-14-15-20)16-18-10-6-4-7-11-18/h4-13,17,20-21,25H,14-16H2,1-3H3/t17-,21+,23-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
(2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 102389196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).