(3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide

C19H24N2O3 — CID 97232185

IUPAC(3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)C[C@@H](C)N[C@H](CO)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-14(20-17(13-22)15-8-4-3-5-9-15)12-19(23)21-16-10-6-7-11-18(16)24-2/h3-11,14,17,20,22H,12-13H2,1-2H3,(H,21,23)/t14-,17-/m1/s1
InChIKeyMLMXBLVUUJBJLN-RHSMWYFYSA-N
MW328.41 g/mol
LogP2.74
Rot. Bonds8

About (3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide

(3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide (PubChem CID 97232185) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide
PubChem CID97232185
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)C[C@@H](C)N[C@H](CO)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-14(20-17(13-22)15-8-4-3-5-9-15)12-19(23)21-16-10-6-7-11-18(16)24-2/h3-11,14,17,20,22H,12-13H2,1-2H3,(H,21,23)/t14-,17-/m1/s1
InChIKeyMLMXBLVUUJBJLN-RHSMWYFYSA-N
XLogP2.74
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide
CID 119163981
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
3-(2-hydroxyphenyl)-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 4136939
N-(2-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945965
[(2S)-4-(2-methoxyanilino)-4-oxobutan-2-yl]-methylazanium
CID 9396224
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898444
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide?
The IUPAC name of (3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide (CID 97232185) is (3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for (3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for (3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide is COc1ccccc1NC(=O)C[C@@H](C)N[C@H](CO)c1ccccc1.
What is the InChIKey of (3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide?
The InChIKey is MLMXBLVUUJBJLN-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(20-17(13-22)15-8-4-3-5-9-15)12-19(23)21-16-10-6-7-11-18(16)24-2/h3-11,14,17,20,22H,12-13H2,1-2H3,(H,21,23)/t14-,17-/m1/s1.
What are the key properties of (3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide?
(3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide has a molecular weight of 328.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 97232185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).