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

C16H17N3O2 — CID 582509

IUPAC2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O2/c17-14(16(20)19-10-12-4-3-7-21-12)8-11-9-18-15-6-2-1-5-13(11)15/h1-7,9,14,18H,8,10,17H2,(H,19,20)
InChIKeyFQLXKOCHDBPFLL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.95
Rot. Bonds5

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

2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 582509) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
PubChem CID582509
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O2/c17-14(16(20)19-10-12-4-3-7-21-12)8-11-9-18-15-6-2-1-5-13(11)15/h1-7,9,14,18H,8,10,17H2,(H,19,20)
InChIKeyFQLXKOCHDBPFLL-UHFFFAOYSA-N
XLogP1.95
TPSA84.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, N-((1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-(((1S)-1-phenylethyl)amino)ethyl)-, 2-benzofuranylmethyl ester
CID 9805809
N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid
CID 449500
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
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
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2450324

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide (CID 582509) is 2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide is NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is FQLXKOCHDBPFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-14(16(20)19-10-12-4-3-7-21-12)8-11-9-18-15-6-2-1-5-13(11)15/h1-7,9,14,18H,8,10,17H2,(H,19,20).
What are the key properties of 2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide?
2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 283.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 582509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).