N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide

C21H19N5O3 — CID 29147416

IUPACN-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide
SMILESO=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C21H19N5O3/c27-19(18-12-13-3-1-2-4-17(13)26-18)23-9-10-24-20(28)21(29)25-15-5-6-16-14(11-15)7-8-22-16/h1-8,11-12,22,26H,9-10H2,(H,23,27)(H,24,28)(H,25,29)
InChIKeyZWOLAOXAYHLPGF-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide

N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide (PubChem CID 29147416) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide.

Molecular Properties

Compound NameN-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide
PubChem CID29147416
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide
SMILESO=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C21H19N5O3/c27-19(18-12-13-3-1-2-4-17(13)26-18)23-9-10-24-20(28)21(29)25-15-5-6-16-14(11-15)7-8-22-16/h1-8,11-12,22,26H,9-10H2,(H,23,27)(H,24,28)(H,25,29)
InChIKeyZWOLAOXAYHLPGF-UHFFFAOYSA-N
XLogP2.13
TPSA118.88 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 29135128
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide
CID 167951270
N-hex-5-ynyl-1H-indole-2-carboxamide
CID 103758030
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747078
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747054

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide?
The IUPAC name of N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide (CID 29147416) is N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide.
What is the SMILES notation for N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide?
The canonical SMILES for N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide is O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide?
The InChIKey is ZWOLAOXAYHLPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c27-19(18-12-13-3-1-2-4-17(13)26-18)23-9-10-24-20(28)21(29)25-15-5-6-16-14(11-15)7-8-22-16/h1-8,11-12,22,26H,9-10H2,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide?
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide has a molecular weight of 389.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide is sourced from PubChem (CID 29147416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).