N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide

C28H26N2O5 — CID 142682866

IUPACN-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide
SMILESCc1c(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)NCc2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C28H26N2O5/c1-18-24(31)21-14-8-9-15-23(21)35-26(18)28(34)30-22(16-19-10-4-2-5-11-19)25(32)27(33)29-17-20-12-6-3-7-13-20/h2-15,22,25,32H,16-17H2,1H3,(H,29,33)(H,30,34)/t22-,25+/m0/s1
InChIKeyIHLOBXKKAJKEDK-WIOPSUGQSA-N
MW470.53 g/mol
LogP3.12
Rot. Bonds8

About N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide

N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide (PubChem CID 142682866) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide
PubChem CID142682866
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC NameN-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide
SMILESCc1c(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)NCc2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C28H26N2O5/c1-18-24(31)21-14-8-9-15-23(21)35-26(18)28(34)30-22(16-19-10-4-2-5-11-19)25(32)27(33)29-17-20-12-6-3-7-13-20/h2-15,22,25,32H,16-17H2,1H3,(H,29,33)(H,30,34)/t22-,25+/m0/s1
InChIKeyIHLOBXKKAJKEDK-WIOPSUGQSA-N
XLogP3.12
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide 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

N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-ethyl-4-oxochromene-2-carboxamide
CID 142682865
N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-7-(methoxymethoxy)-3-methyl-4-oxochromene-2-carboxamide
CID 170457534
[(3R)-3-hydroxy-4-(methoxymethylamino)-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 70204739
N-[4-[(3,4-dimethoxyphenyl)methylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxo-1H-quinoline-2-carboxamide
CID 166624522
[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid
CID 90717635
3-methyl-4-oxochromene-2-carboxylic acid
CID 14958195
(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide
CID 59636946
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide
CID 153386321
[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 91315890
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide (CID 142682866) is N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide is Cc1c(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)NCc2ccccc2)oc2ccccc2c1=O.
What is the InChIKey of N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide?
The InChIKey is IHLOBXKKAJKEDK-WIOPSUGQSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-18-24(31)21-14-8-9-15-23(21)35-26(18)28(34)30-22(16-19-10-4-2-5-11-19)25(32)27(33)29-17-20-12-6-3-7-13-20/h2-15,22,25,32H,16-17H2,1H3,(H,29,33)(H,30,34)/t22-,25+/m0/s1.
What are the key properties of N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide?
N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 142682866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).