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

C19H21N3O3 — CID 119613936

IUPACN-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
SMILESNCC(NC(=O)c1occc1CN1C(=O)Cc2ccccc21)C1CC1
InChIInChI=1S/C19H21N3O3/c20-10-15(12-5-6-12)21-19(24)18-14(7-8-25-18)11-22-16-4-2-1-3-13(16)9-17(22)23/h1-4,7-8,12,15H,5-6,9-11,20H2,(H,21,24)
InChIKeyAUPKCIHLIYIURP-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.84
Rot. Bonds6

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

N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide (PubChem CID 119613936) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
PubChem CID119613936
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
SMILESNCC(NC(=O)c1occc1CN1C(=O)Cc2ccccc21)C1CC1
InChIInChI=1S/C19H21N3O3/c20-10-15(12-5-6-12)21-19(24)18-14(7-8-25-18)11-22-16-4-2-1-3-13(16)9-17(22)23/h1-4,7-8,12,15H,5-6,9-11,20H2,(H,21,24)
InChIKeyAUPKCIHLIYIURP-UHFFFAOYSA-N
XLogP1.84
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide (CID 119613936) is N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide is NCC(NC(=O)c1occc1CN1C(=O)Cc2ccccc21)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is AUPKCIHLIYIURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-10-15(12-5-6-12)21-19(24)18-14(7-8-25-18)11-22-16-4-2-1-3-13(16)9-17(22)23/h1-4,7-8,12,15H,5-6,9-11,20H2,(H,21,24).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 119613936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).