(2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide

C19H31NO3 — CID 15248153

IUPAC(2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide
SMILESCOc1ccc([C@@H](O)[C@@H](C)[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C19H31NO3/c1-12(2)20(13(3)4)19(22)15(6)14(5)18(21)16-8-10-17(23-7)11-9-16/h8-15,18,21H,1-7H3/t14-,15+,18-/m0/s1
InChIKeyOFHLLPIXULXNDH-DAYGRLMNSA-N
MW321.46 g/mol
LogP3.65
Rot. Bonds7

About (2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide

(2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide (PubChem CID 15248153) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is (2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide.

Molecular Properties

Compound Name(2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide
PubChem CID15248153
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name(2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide
SMILESCOc1ccc([C@@H](O)[C@@H](C)[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C19H31NO3/c1-12(2)20(13(3)4)19(22)15(6)14(5)18(21)16-8-10-17(23-7)11-9-16/h8-15,18,21H,1-7H3/t14-,15+,18-/m0/s1
InChIKeyOFHLLPIXULXNDH-DAYGRLMNSA-N
XLogP3.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide with MolForge

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Related Compounds

(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-2,4,4-trimethylpentan-3-one
CID 13299699
methyl 2-[hydroxy-(4-methoxyphenyl)methyl]-3-methylbutanoate
CID 55071608
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
CID 105485252
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 102032206
[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid
CID 174855918
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708
(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
CID 96538154

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide?
The IUPAC name of (2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide (CID 15248153) is (2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide.
What is the SMILES notation for (2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide?
The canonical SMILES for (2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide is COc1ccc([C@@H](O)[C@@H](C)[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1.
What is the InChIKey of (2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide?
The InChIKey is OFHLLPIXULXNDH-DAYGRLMNSA-N. The full InChI is InChI=1S/C19H31NO3/c1-12(2)20(13(3)4)19(22)15(6)14(5)18(21)16-8-10-17(23-7)11-9-16/h8-15,18,21H,1-7H3/t14-,15+,18-/m0/s1.
What are the key properties of (2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide?
(2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide has a molecular weight of 321.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide is sourced from PubChem (CID 15248153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).