3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide

C22H22N4O2 — CID 175237247

IUPAC3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccccc2c1CCCCc1c(C(N)=O)[nH]c2ccccc12
InChIInChI=1S/C22H22N4O2/c23-21(27)19-15(13-7-3-5-11-17(13)25-19)9-1-2-10-16-14-8-4-6-12-18(14)26-20(16)22(24)28/h3-8,11-12,25-26H,1-2,9-10H2,(H2,23,27)(H2,24,28)
InChIKeyNOAUBWUCUWAHGZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.41
Rot. Bonds7

About 3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide

3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide (PubChem CID 175237247) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide
PubChem CID175237247
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccccc2c1CCCCc1c(C(N)=O)[nH]c2ccccc12
InChIInChI=1S/C22H22N4O2/c23-21(27)19-15(13-7-3-5-11-17(13)25-19)9-1-2-10-16-14-8-4-6-12-18(14)26-20(16)22(24)28/h3-8,11-12,25-26H,1-2,9-10H2,(H2,23,27)(H2,24,28)
InChIKeyNOAUBWUCUWAHGZ-UHFFFAOYSA-N
XLogP3.41
TPSA117.76 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide (CID 175237247) is 3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccccc2c1CCCCc1c(C(N)=O)[nH]c2ccccc12.
What is the InChIKey of 3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide?
The InChIKey is NOAUBWUCUWAHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-21(27)19-15(13-7-3-5-11-17(13)25-19)9-1-2-10-16-14-8-4-6-12-18(14)26-20(16)22(24)28/h3-8,11-12,25-26H,1-2,9-10H2,(H2,23,27)(H2,24,28).
What are the key properties of 3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide?
3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 175237247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).