N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide

C23H30N4O2 — CID 40890464

IUPACN-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c1C
InChIInChI=1S/C23H30N4O2/c1-15-7-6-8-19(16(15)2)25-23(29)22(28)24-14-21(26(3)4)17-9-10-20-18(13-17)11-12-27(20)5/h6-10,13,21H,11-12,14H2,1-5H3,(H,24,28)(H,25,29)/t21-/m1/s1
InChIKeyVDMNRSWIUWESKK-OAQYLSRUSA-N
MW394.52 g/mol
LogP2.65
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide

N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide (PubChem CID 40890464) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide
PubChem CID40890464
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c1C
InChIInChI=1S/C23H30N4O2/c1-15-7-6-8-19(16(15)2)25-23(29)22(28)24-14-21(26(3)4)17-9-10-20-18(13-17)11-12-27(20)5/h6-10,13,21H,11-12,14H2,1-5H3,(H,24,28)(H,25,29)/t21-/m1/s1
InChIKeyVDMNRSWIUWESKK-OAQYLSRUSA-N
XLogP2.65
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-fluorophenyl)oxamide
CID 40890402
N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 40890480
N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 40947890
N-[(2S)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 40947892
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 16802064
N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 51449111
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 40890318
N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 40890372
N'-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 40890350
N'-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 40890360
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 90582486
N'-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30576158

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide (CID 40890464) is N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c1C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide?
The InChIKey is VDMNRSWIUWESKK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-15-7-6-8-19(16(15)2)25-23(29)22(28)24-14-21(26(3)4)17-9-10-20-18(13-17)11-12-27(20)5/h6-10,13,21H,11-12,14H2,1-5H3,(H,24,28)(H,25,29)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide?
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide has a molecular weight of 394.52 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide is sourced from PubChem (CID 40890464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).