(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide

C18H24N2O3 — CID 141449828

IUPAC(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide
SMILESCO[C@@H](c1ccc[nH]1)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-12(17(23-3)15-10-7-11-19-15)18(22)20-13(2)16(21)14-8-5-4-6-9-14/h4-13,16-17,19,21H,1-3H3,(H,20,22)/t12-,13-,16-,17-/m1/s1
InChIKeyQIYMUAHPVFNSRJ-BQGCOEIASA-N
MW316.40 g/mol
LogP2.58
Rot. Bonds7

About (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide

(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide (PubChem CID 141449828) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide.

Molecular Properties

Compound Name(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide
PubChem CID141449828
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide
SMILESCO[C@@H](c1ccc[nH]1)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-12(17(23-3)15-10-7-11-19-15)18(22)20-13(2)16(21)14-8-5-4-6-9-14/h4-13,16-17,19,21H,1-3H3,(H,20,22)/t12-,13-,16-,17-/m1/s1
InChIKeyQIYMUAHPVFNSRJ-BQGCOEIASA-N
XLogP2.58
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 169449920
(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide;2,2,2-trifluoroacetic acid
CID 174987095
methyl 2,3-dihydroxy-3-(1H-pyrrol-2-yl)propanoate
CID 171865398
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 15210216
(2R)-2-methoxy-N-[(2S,3R)-3-phenylbutan-2-yl]propanamide
CID 96522716
tert-butyl (2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
CID 20777964
(2R,3R)-3-methoxy-2-methyl-N-[2-(3-methyl-2-nitrophenyl)ethyl]-3-(1H-pyrrol-2-yl)propanamide
CID 176654002
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide
CID 134936429
methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate
CID 83528987
(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
CID 170443504
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide?
The IUPAC name of (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide (CID 141449828) is (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide.
What is the SMILES notation for (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide?
The canonical SMILES for (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide is CO[C@@H](c1ccc[nH]1)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide?
The InChIKey is QIYMUAHPVFNSRJ-BQGCOEIASA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(17(23-3)15-10-7-11-19-15)18(22)20-13(2)16(21)14-8-5-4-6-9-14/h4-13,16-17,19,21H,1-3H3,(H,20,22)/t12-,13-,16-,17-/m1/s1.
What are the key properties of (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide?
(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide has a molecular weight of 316.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-(1H-pyrrol-2-yl)propanamide is sourced from PubChem (CID 141449828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).