(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide

C20H25NO3 — CID 97347396

IUPAC(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)C[C@](C)(O)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-15(17-12-8-9-13-18(17)24-4)21(3)19(22)14-20(2,23)16-10-6-5-7-11-16/h5-13,15,23H,14H2,1-4H3/t15-,20+/m1/s1
InChIKeyUXRNJRPJRKSJLJ-QRWLVFNGSA-N
MW327.42 g/mol
LogP3.51
Rot. Bonds6

About (3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide

(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide (PubChem CID 97347396) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
PubChem CID97347396
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)C[C@](C)(O)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-15(17-12-8-9-13-18(17)24-4)21(3)19(22)14-20(2,23)16-10-6-5-7-11-16/h5-13,15,23H,14H2,1-4H3/t15-,20+/m1/s1
InChIKeyUXRNJRPJRKSJLJ-QRWLVFNGSA-N
XLogP3.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347397
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 97021277
3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 84595839
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide?
The IUPAC name of (3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide (CID 97347396) is (3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide?
The canonical SMILES for (3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide is COc1ccccc1[C@@H](C)N(C)C(=O)C[C@](C)(O)c1ccccc1.
What is the InChIKey of (3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide?
The InChIKey is UXRNJRPJRKSJLJ-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15(17-12-8-9-13-18(17)24-4)21(3)19(22)14-20(2,23)16-10-6-5-7-11-16/h5-13,15,23H,14H2,1-4H3/t15-,20+/m1/s1.
What are the key properties of (3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide?
(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide has a molecular weight of 327.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 97347396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).