(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane

C29H34N2O4 — CID 143479213

IUPAC(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane
SMILESCC.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C27H28N2O4.C2H6/c1-18(21-13-11-20(12-14-21)15-19-7-3-2-4-8-19)28-26(32)24(30)25(31)27(33)29-16-22-9-5-6-10-23(22)17-29;1-2/h2-14,18,24-25,30-31H,15-17H2,1H3,(H,28,32);1-2H3/t18-,24-,25-;/m1./s1
InChIKeyOBIIRPFBRKBOMJ-SMFYNSRMSA-N
MW474.60 g/mol
LogP3.74
Rot. Bonds7

About (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane

(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane (PubChem CID 143479213) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane.

Molecular Properties

Compound Name(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane
PubChem CID143479213
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane
SMILESCC.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C27H28N2O4.C2H6/c1-18(21-13-11-20(12-14-21)15-19-7-3-2-4-8-19)28-26(32)24(30)25(31)27(33)29-16-22-9-5-6-10-23(22)17-29;1-2/h2-14,18,24-25,30-31H,15-17H2,1H3,(H,28,32);1-2H3/t18-,24-,25-;/m1./s1
InChIKeyOBIIRPFBRKBOMJ-SMFYNSRMSA-N
XLogP3.74
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane 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

4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-[1-[4-(4-hydroxyphenyl)phenyl]ethyl]-4-oxobutanamide
CID 23584992
1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-[[(1S)-1-(4-hydroxyphenyl)ethyl]amino]pent-4-en-1-one
CID 89352000
(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-3-hydroxy-1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,4-dioxobutan-2-olate
CID 143154945
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[1-[4-(3-pyridin-4-yl-2,3-dihydrothiophen-2-yl)phenyl]ethyl]butanamide
CID 70330156
(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxybutan-1-one
CID 143154451
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
(2R)-N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-4-oxobutanamide
CID 71178647
1,4-bis(1,3-dihydroisoindol-2-yl)-2,3-dimethylbutane-1,4-dione
CID 119035210
1-(1,3-dihydroisoindol-2-yl)-2-sulfanylpropan-1-one
CID 107028048
2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
CID 3756499

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane?
The IUPAC name of (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane (CID 143479213) is (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane.
What is the SMILES notation for (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane?
The canonical SMILES for (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane is CC.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane?
The InChIKey is OBIIRPFBRKBOMJ-SMFYNSRMSA-N. The full InChI is InChI=1S/C27H28N2O4.C2H6/c1-18(21-13-11-20(12-14-21)15-19-7-3-2-4-8-19)28-26(32)24(30)25(31)27(33)29-16-22-9-5-6-10-23(22)17-29;1-2/h2-14,18,24-25,30-31H,15-17H2,1H3,(H,28,32);1-2H3/t18-,24-,25-;/m1./s1.
What are the key properties of (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane?
(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane has a molecular weight of 474.60 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane is sourced from PubChem (CID 143479213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).