(2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide

C22H24N2O4 — CID 134544678

IUPAC(2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
SMILESCN(C(=O)[C@@H](N)[C@H](O)c1ccco1)[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-24(22(27)18(23)21(26)17-13-8-14-28-17)19(15-9-4-2-5-10-15)20(25)16-11-6-3-7-12-16/h2-14,18-21,25-26H,23H2,1H3/t18-,19+,20+,21+/m0/s1
InChIKeyCCTKKMHZVQXULK-DOIPELPJSA-N
MW380.44 g/mol
LogP2.57
Rot. Bonds7

About (2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide

(2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide (PubChem CID 134544678) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
PubChem CID134544678
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
SMILESCN(C(=O)[C@@H](N)[C@H](O)c1ccco1)[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-24(22(27)18(23)21(26)17-13-8-14-28-17)19(15-9-4-2-5-10-15)20(25)16-11-6-3-7-12-16/h2-14,18-21,25-26H,23H2,1H3/t18-,19+,20+,21+/m0/s1
InChIKeyCCTKKMHZVQXULK-DOIPELPJSA-N
XLogP2.57
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
CID 134544727
(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide
CID 134544444
(2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide
CID 102443672
tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate
CID 12071973
methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate
CID 638407
(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid
CID 3088964
1-(furan-2-yl)-2,2-diphenylethanol
CID 63947549
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
N-benzhydryl-N-methylfuran-2-carboxamide
CID 2510238
(2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid
CID 161238687
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide?
The IUPAC name of (2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide (CID 134544678) is (2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide?
The canonical SMILES for (2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide is CN(C(=O)[C@@H](N)[C@H](O)c1ccco1)[C@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide?
The InChIKey is CCTKKMHZVQXULK-DOIPELPJSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-24(22(27)18(23)21(26)17-13-8-14-28-17)19(15-9-4-2-5-10-15)20(25)16-11-6-3-7-12-16/h2-14,18-21,25-26H,23H2,1H3/t18-,19+,20+,21+/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide?
(2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide has a molecular weight of 380.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide is sourced from PubChem (CID 134544678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).