N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide

C20H23N3O3 — CID 119475490

IUPACN-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
SMILESNC1CCC(NC(=O)c2occc2CN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C20H23N3O3/c21-15-5-7-16(8-6-15)22-20(25)19-14(9-10-26-19)12-23-17-4-2-1-3-13(17)11-18(23)24/h1-4,9-10,15-16H,5-8,11-12,21H2,(H,22,25)
InChIKeyAORDDKBXXXJYSB-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.37
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide

N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide (PubChem CID 119475490) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
PubChem CID119475490
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
SMILESNC1CCC(NC(=O)c2occc2CN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C20H23N3O3/c21-15-5-7-16(8-6-15)22-20(25)19-14(9-10-26-19)12-23-17-4-2-1-3-13(17)11-18(23)24/h1-4,9-10,15-16H,5-8,11-12,21H2,(H,22,25)
InChIKeyAORDDKBXXXJYSB-UHFFFAOYSA-N
XLogP2.37
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide (CID 119475490) is N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide is NC1CCC(NC(=O)c2occc2CN2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is AORDDKBXXXJYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c21-15-5-7-16(8-6-15)22-20(25)19-14(9-10-26-19)12-23-17-4-2-1-3-13(17)11-18(23)24/h1-4,9-10,15-16H,5-8,11-12,21H2,(H,22,25).
What are the key properties of N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 119475490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).