(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide

C16H19NO4 — CID 99589419

IUPAC(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide
SMILESC[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H19NO4/c1-11(10-13(18)14-8-5-9-21-14)17-16(20)15(19)12-6-3-2-4-7-12/h2-9,11,13,15,18-19H,10H2,1H3,(H,17,20)/t11-,13-,15+/m1/s1
InChIKeyMSRDLEZPCVVYGX-KYOSRNDESA-N
MW289.33 g/mol
LogP1.94
Rot. Bonds6

About (2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide

(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 99589419) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide
PubChem CID99589419
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide
SMILESC[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H19NO4/c1-11(10-13(18)14-8-5-9-21-14)17-16(20)15(19)12-6-3-2-4-7-12/h2-9,11,13,15,18-19H,10H2,1H3,(H,17,20)/t11-,13-,15+/m1/s1
InChIKeyMSRDLEZPCVVYGX-KYOSRNDESA-N
XLogP1.94
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide with MolForge

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Related Compounds

N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
CID 97247610
(2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide
CID 129432897
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812
1-[(1S)-1-(3-cyanophenyl)ethyl]-3-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086720
1-(1,3-benzothiazol-2-yl)-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97224822
3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride
CID 120501802
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea
CID 97225262
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide (CID 99589419) is (2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide is C[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is MSRDLEZPCVVYGX-KYOSRNDESA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(10-13(18)14-8-5-9-21-14)17-16(20)15(19)12-6-3-2-4-7-12/h2-9,11,13,15,18-19H,10H2,1H3,(H,17,20)/t11-,13-,15+/m1/s1.
What are the key properties of (2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide?
(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 289.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 99589419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).