(2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide

C25H35NO4 — CID 170640585

IUPAC(2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide
SMILESCCC[C@@H](C)COc1ccc([C@@H](NC(=O)[C@](C)(O)c2ccccc2)C(C)(C)O)cc1
InChIInChI=1S/C25H35NO4/c1-6-10-18(2)17-30-21-15-13-19(14-16-21)22(24(3,4)28)26-23(27)25(5,29)20-11-8-7-9-12-20/h7-9,11-16,18,22,28-29H,6,10,17H2,1-5H3,(H,26,27)/t18-,22-,25-/m1/s1
InChIKeyDASWLKAGCXBRBL-YBGOQADZSA-N
MW413.56 g/mol
LogP4.34
Rot. Bonds10

About (2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide

(2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide (PubChem CID 170640585) has the molecular formula C25H35NO4 and a molecular weight of 413.56 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide
PubChem CID170640585
Molecular FormulaC25H35NO4
Molecular Weight413.56 g/mol
Exact Mass413.26
IUPAC Name(2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide
SMILESCCC[C@@H](C)COc1ccc([C@@H](NC(=O)[C@](C)(O)c2ccccc2)C(C)(C)O)cc1
InChIInChI=1S/C25H35NO4/c1-6-10-18(2)17-30-21-15-13-19(14-16-21)22(24(3,4)28)26-23(27)25(5,29)20-11-8-7-9-12-20/h7-9,11-16,18,22,28-29H,6,10,17H2,1-5H3,(H,26,27)/t18-,22-,25-/m1/s1
InChIKeyDASWLKAGCXBRBL-YBGOQADZSA-N
XLogP4.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide
CID 140569565
[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl] N-tert-butylcarbamate
CID 170640575
tert-butyl N-[(1R)-3,3,3-trideuterio-1-[4-[(2R)-1,1-dideuterio-2-methylpentoxy]phenyl]-2-hydroxy-2-(trideuteriomethyl)propyl]carbamate
CID 170640584
[(1R)-1-[4-(2-methylpentoxy)phenyl]-2-oxoethyl]carbamic acid
CID 89116603
tert-butyl N-methyl-N-[2-[[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]acetyl]amino]ethyl]carbamate
CID 162652578
N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide
CID 129058692
(2S)-N-[(R)-(5-methyl-1,3,4-oxadiazol-2-yl)-[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide
CID 162664171
methyl (2R)-2-[4-(2-methylpentoxy)phenyl]-2-[(1-phenylcyclopropanecarbonyl)amino]acetate
CID 134130445
[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate
CID 67086154
[2-[4-(2-methylpentoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate
CID 67086159
2-[4-(2-methylundecoxy)phenyl]propanoic acid
CID 58795117
(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
CID 55189541

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide?
The IUPAC name of (2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide (CID 170640585) is (2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide?
The canonical SMILES for (2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide is CCC[C@@H](C)COc1ccc([C@@H](NC(=O)[C@](C)(O)c2ccccc2)C(C)(C)O)cc1.
What is the InChIKey of (2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide?
The InChIKey is DASWLKAGCXBRBL-YBGOQADZSA-N. The full InChI is InChI=1S/C25H35NO4/c1-6-10-18(2)17-30-21-15-13-19(14-16-21)22(24(3,4)28)26-23(27)25(5,29)20-11-8-7-9-12-20/h7-9,11-16,18,22,28-29H,6,10,17H2,1-5H3,(H,26,27)/t18-,22-,25-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide?
(2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide has a molecular weight of 413.56 g/mol, XLogP of 4.34, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl]-2-phenylpropanamide is sourced from PubChem (CID 170640585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).