N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide

C16H16N2O2 — CID 582676

IUPACN-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1ccco1
InChIInChI=1S/C16H16N2O2/c19-16(18-11-13-4-3-9-20-13)8-7-12-10-17-15-6-2-1-5-14(12)15/h1-6,9-10,17H,7-8,11H2,(H,18,19)
InChIKeyRMJKQZLPANPENR-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.01
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide

N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 582676) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
PubChem CID582676
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1ccco1
InChIInChI=1S/C16H16N2O2/c19-16(18-11-13-4-3-9-20-13)8-7-12-10-17-15-6-2-1-5-14(12)15/h1-6,9-10,17H,7-8,11H2,(H,18,19)
InChIKeyRMJKQZLPANPENR-UHFFFAOYSA-N
XLogP3.01
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid
CID 449500
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
1-(9H-carbazol-9-yl)-3-(((furan-2-yl)methyl)amino)propan-2-ol
CID 652652
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one
CID 23647554
furan-2-yl(1H-indol-3-yl)methanone
CID 958611
3-(furan-3-yl)-1H-indole
CID 10607518
(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
N'-[1-(2-furyl)ethylidene]-1H-indole-3-carbohydrazide
CID 5340769
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 1932249

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide (CID 582676) is N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is RMJKQZLPANPENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(18-11-13-4-3-9-20-13)8-7-12-10-17-15-6-2-1-5-14(12)15/h1-6,9-10,17H,7-8,11H2,(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 268.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 582676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).