N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide

C21H22N4O3 — CID 167951270

IUPACN-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide
SMILESCCc1ccccc1CNC(=O)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1
InChIInChI=1S/C21H22N4O3/c1-3-13-6-4-5-7-14(13)12-23-20(27)21(28)24-16-8-9-17-15(10-16)11-18(25-17)19(26)22-2/h4-11,25H,3,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyBGZNPHSGWZBKOB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.34
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide

N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide (PubChem CID 167951270) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide
PubChem CID167951270
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide
SMILESCCc1ccccc1CNC(=O)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1
InChIInChI=1S/C21H22N4O3/c1-3-13-6-4-5-7-14(13)12-23-20(27)21(28)24-16-8-9-17-15(10-16)11-18(25-17)19(26)22-2/h4-11,25H,3,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyBGZNPHSGWZBKOB-UHFFFAOYSA-N
XLogP2.34
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.34
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

5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
CID 136538752
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide
CID 29147416
N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide
CID 166223466
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 83289806
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
CID 83289883
N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 175836307
[difluoro-[2-(methylcarbamoyl)-1H-indol-5-yl]methyl]phosphonic acid
CID 169170618
5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 36868472
5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747078
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 167957313

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide?
The IUPAC name of N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide (CID 167951270) is N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide is CCc1ccccc1CNC(=O)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide?
The InChIKey is BGZNPHSGWZBKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-13-6-4-5-7-14(13)12-23-20(27)21(28)24-16-8-9-17-15(10-16)11-18(25-17)19(26)22-2/h4-11,25H,3,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide?
N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide has a molecular weight of 378.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide is sourced from PubChem (CID 167951270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).