(2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide

C27H28N2O4 — CID 54586421

IUPAC(2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C27H28N2O4/c30-24(25(31)27(33)29-17-7-12-23(29)22-10-5-2-6-11-22)26(32)28-18-19-13-15-21(16-14-19)20-8-3-1-4-9-20/h1-6,8-11,13-16,23-25,30-31H,7,12,17-18H2,(H,28,32)/t23-,24-,25-/m1/s1
InChIKeyPSJYOQDMBWMKPS-UBFVSLLYSA-N
MW444.53 g/mol
LogP3.06
Rot. Bonds7

About (2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide

(2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide (PubChem CID 54586421) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
PubChem CID54586421
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name(2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C27H28N2O4/c30-24(25(31)27(33)29-17-7-12-23(29)22-10-5-2-6-11-22)26(32)28-18-19-13-15-21(16-14-19)20-8-3-1-4-9-20/h1-6,8-11,13-16,23-25,30-31H,7,12,17-18H2,(H,28,32)/t23-,24-,25-/m1/s1
InChIKeyPSJYOQDMBWMKPS-UBFVSLLYSA-N
XLogP3.06
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
CID 54584508
(2R,3R)-N-(4-benzylbenzyl)-4-(2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide
CID 46229837
(2R,3R)-N-benzyl-4-(2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide
CID 11668526
(-)-N,N'-Dibenzyl-D-tartaric diamide
CID 501436
(2S,4R)-1-(2,3-dihydroxypropanoyl)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 167188758
2-Pyrrolidinone, 1-(3-((diphenylmethyl)amino)-2-hydroxypropyl)-, monohydrochloride
CID 3075720
(2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide
CID 5494860
(2S,3S)-2,3-dihydroxy-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 5494861
(2S,3S)-1-acetyl-3-hydroxy-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140525
N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide
CID 57172065
1-[3-(Benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 3075721
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide
CID 23585089

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide (CID 54586421) is (2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide is O=C(NCc1ccc(-c2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The InChIKey is PSJYOQDMBWMKPS-UBFVSLLYSA-N. The full InChI is InChI=1S/C27H28N2O4/c30-24(25(31)27(33)29-17-7-12-23(29)22-10-5-2-6-11-22)26(32)28-18-19-13-15-21(16-14-19)20-8-3-1-4-9-20/h1-6,8-11,13-16,23-25,30-31H,7,12,17-18H2,(H,28,32)/t23-,24-,25-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
(2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide has a molecular weight of 444.53 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide is sourced from PubChem (CID 54586421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).