N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide

C18H19N3O4 — CID 98211124

IUPACN-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide
SMILESCCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C18H19N3O4/c1-2-9-21-14-8-4-3-7-13(14)15(18(21)24)20-17(23)16(22)19-11-12-6-5-10-25-12/h3-8,10,15H,2,9,11H2,1H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyMSFAJFZGFHXQAW-HNNXBMFYSA-N
MW341.37 g/mol
LogP1.51
Rot. Bonds5

About N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide

N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide (PubChem CID 98211124) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide
PubChem CID98211124
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide
SMILESCCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C18H19N3O4/c1-2-9-21-14-8-4-3-7-13(14)15(18(21)24)20-17(23)16(22)19-11-12-6-5-10-25-12/h3-8,10,15H,2,9,11H2,1H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyMSFAJFZGFHXQAW-HNNXBMFYSA-N
XLogP1.51
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-1-propyl-3H-indol-3-yl)urea
CID 150324372
N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40946997
3-(ethylamino)-1-propyl-3H-indol-2-one
CID 82238885
(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid
CID 69107894
3-hydroxy-1-propyl-3H-indol-2-one
CID 90417958
N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(2-methoxyethyl)oxamide
CID 41024850
N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 51608498
N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 98209770
N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51971306
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 757964
3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636084
N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40947557

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide (CID 98211124) is N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide is CCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccco2)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide?
The InChIKey is MSFAJFZGFHXQAW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-2-9-21-14-8-4-3-7-13(14)15(18(21)24)20-17(23)16(22)19-11-12-6-5-10-25-12/h3-8,10,15H,2,9,11H2,1H3,(H,19,22)(H,20,23)/t15-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide?
N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide has a molecular weight of 341.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide is sourced from PubChem (CID 98211124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).