(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide

C16H25NO2 — CID 11817897

IUPAC(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](C)CO)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)9-14-5-7-15(8-6-14)13(4)16(19)17-12(3)10-18/h5-8,11-13,18H,9-10H2,1-4H3,(H,17,19)/t12-,13+/m0/s1
InChIKeyDSGLJUVFNNIMPV-QWHCGFSZSA-N
MW263.38 g/mol
LogP2.49
Rot. Bonds6

About (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide

(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 11817897) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID11817897
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](C)CO)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)9-14-5-7-15(8-6-14)13(4)16(19)17-12(3)10-18/h5-8,11-13,18H,9-10H2,1-4H3,(H,17,19)/t12-,13+/m0/s1
InChIKeyDSGLJUVFNNIMPV-QWHCGFSZSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 89455397
(2S)-3-methoxy-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid
CID 68530815
3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide
CID 175979048
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 11817897) is (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](C)CO)cc1.
What is the InChIKey of (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is DSGLJUVFNNIMPV-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)9-14-5-7-15(8-6-14)13(4)16(19)17-12(3)10-18/h5-8,11-13,18H,9-10H2,1-4H3,(H,17,19)/t12-,13+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 11817897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).