N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide

C17H27NO2 — CID 107861443

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)N[C@@H](CO)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-13(17(2,3)4)10-16(20)18-15(12-19)11-14-8-6-5-7-9-14/h5-9,13,15,19H,10-12H2,1-4H3,(H,18,20)/t13?,15-/m1/s1
InChIKeyZSBDKAFSUBHNQP-AWKYBWMHSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds6

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide (PubChem CID 107861443) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
PubChem CID107861443
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)N[C@@H](CO)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-13(17(2,3)4)10-16(20)18-15(12-19)11-14-8-6-5-7-9-14/h5-9,13,15,19H,10-12H2,1-4H3,(H,18,20)/t13?,15-/m1/s1
InChIKeyZSBDKAFSUBHNQP-AWKYBWMHSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide
CID 107863107
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 114010279
4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107862064
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide
CID 102673901
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 15660575
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55169772
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide (CID 107861443) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide is CC(CC(=O)N[C@@H](CO)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide?
The InChIKey is ZSBDKAFSUBHNQP-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(17(2,3)4)10-16(20)18-15(12-19)11-14-8-6-5-7-9-14/h5-9,13,15,19H,10-12H2,1-4H3,(H,18,20)/t13?,15-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide has a molecular weight of 277.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 107861443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).