N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide

C16H15N3O3 — CID 42581260

IUPACN-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
SMILESO=C(NCCNC(=O)c1c[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C16H15N3O3/c20-15(12-10-19-13-5-2-1-4-11(12)13)17-7-8-18-16(21)14-6-3-9-22-14/h1-6,9-10,19H,7-8H2,(H,17,20)(H,18,21)
InChIKeyGTRVPQZPARVCGW-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.92
Rot. Bonds5

About N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide

N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide (PubChem CID 42581260) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
PubChem CID42581260
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
SMILESO=C(NCCNC(=O)c1c[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C16H15N3O3/c20-15(12-10-19-13-5-2-1-4-11(12)13)17-7-8-18-16(21)14-6-3-9-22-14/h1-6,9-10,19H,7-8H2,(H,17,20)(H,18,21)
InChIKeyGTRVPQZPARVCGW-UHFFFAOYSA-N
XLogP1.92
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 30455818
[2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909009
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7899244
N-[1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 807650
N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5340769
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
CID 107831836
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
(2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate
CID 9292241
N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 38227641

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide (CID 42581260) is N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide is O=C(NCCNC(=O)c1c[nH]c2ccccc12)c1ccco1.
What is the InChIKey of N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide?
The InChIKey is GTRVPQZPARVCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(12-10-19-13-5-2-1-4-11(12)13)17-7-8-18-16(21)14-6-3-9-22-14/h1-6,9-10,19H,7-8H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide?
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 42581260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).