N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide

C19H19N3O3 — CID 111798651

IUPACN'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide
SMILESCc1cc2cc(NC(=O)C(=O)N[C@H](CO)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C19H19N3O3/c1-12-9-14-10-15(7-8-16(14)20-12)21-18(24)19(25)22-17(11-23)13-5-3-2-4-6-13/h2-10,17,20,23H,11H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyANBYVMGQPYUHNC-QGZVFWFLSA-N
MW337.38 g/mol
LogP2.26
Rot. Bonds4

About N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide

N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide (PubChem CID 111798651) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide.

Molecular Properties

Compound NameN'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide
PubChem CID111798651
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide
SMILESCc1cc2cc(NC(=O)C(=O)N[C@H](CO)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C19H19N3O3/c1-12-9-14-10-15(7-8-16(14)20-12)21-18(24)19(25)22-17(11-23)13-5-3-2-4-6-13/h2-10,17,20,23H,11H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyANBYVMGQPYUHNC-QGZVFWFLSA-N
XLogP2.26
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798119
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
N-(2-methyl-1H-indol-5-yl)-2-(2-phenylphenoxy)acetamide
CID 71897550
N-(2-ethylphenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798095
3-[4-(aminomethyl)phenyl]-N-(2-methyl-1H-indol-5-yl)-2-[(4-phenylphenyl)carbamoylamino]propanamide
CID 69109847
2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide
CID 46414003
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide
CID 86929104
1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
CID 111474667
N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide
CID 111798649
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103703

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide?
The IUPAC name of N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide (CID 111798651) is N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide.
What is the SMILES notation for N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide?
The canonical SMILES for N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide is Cc1cc2cc(NC(=O)C(=O)N[C@H](CO)c3ccccc3)ccc2[nH]1.
What is the InChIKey of N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide?
The InChIKey is ANBYVMGQPYUHNC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-9-14-10-15(7-8-16(14)20-12)21-18(24)19(25)22-17(11-23)13-5-3-2-4-6-13/h2-10,17,20,23H,11H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1.
What are the key properties of N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide?
N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide has a molecular weight of 337.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide is sourced from PubChem (CID 111798651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).