N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide

C21H23N3O3 — CID 51972137

IUPACN-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-14(12-13-15-8-4-3-5-9-15)22-19(25)20(26)23-18-16-10-6-7-11-17(16)24(2)21(18)27/h3-11,14,18H,12-13H2,1-2H3,(H,22,25)(H,23,26)/t14-,18+/m1/s1
InChIKeyCGQSRUHKPFAXCF-KDOFPFPSSA-N
MW365.43 g/mol
LogP1.96
Rot. Bonds5

About N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide

N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide (PubChem CID 51972137) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide
PubChem CID51972137
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-14(12-13-15-8-4-3-5-9-15)22-19(25)20(26)23-18-16-10-6-7-11-17(16)24(2)21(18)27/h3-11,14,18H,12-13H2,1-2H3,(H,22,25)(H,23,26)/t14-,18+/m1/s1
InChIKeyCGQSRUHKPFAXCF-KDOFPFPSSA-N
XLogP1.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40946997
N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51973716
N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 98209770
N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51971306
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
N-[(2-methoxyphenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 41008990
N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40947557
N-[3-(diethylamino)propyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 29075014
N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
CID 98231836
3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one
CID 114999516
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
[(2S)-1-[(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)amino]-1-oxopropan-2-yl] N-benzyl-N-methylcarbamate
CID 11374519

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide?
The IUPAC name of N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide (CID 51972137) is N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide.
What is the SMILES notation for N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide?
The canonical SMILES for N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide is C[C@H](CCc1ccccc1)NC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21.
What is the InChIKey of N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide?
The InChIKey is CGQSRUHKPFAXCF-KDOFPFPSSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(12-13-15-8-4-3-5-9-15)22-19(25)20(26)23-18-16-10-6-7-11-17(16)24(2)21(18)27/h3-11,14,18H,12-13H2,1-2H3,(H,22,25)(H,23,26)/t14-,18+/m1/s1.
What are the key properties of N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide?
N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide has a molecular weight of 365.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide is sourced from PubChem (CID 51972137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).