N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide

C16H15N3O2 — CID 6049004

IUPACN-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N/N=C\c1ccco1
InChIInChI=1S/C16H15N3O2/c20-16(19-18-11-13-4-3-9-21-13)8-7-12-10-17-15-6-2-1-5-14(12)15/h1-6,9-11,17H,7-8H2,(H,19,20)/b18-11-
InChIKeyTXRZKAMVOVUUIR-WQRHYEAKSA-N
MW281.31 g/mol
LogP2.84
Rot. Bonds5

About N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide

N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide (PubChem CID 6049004) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
PubChem CID6049004
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N/N=C\c1ccco1
InChIInChI=1S/C16H15N3O2/c20-16(19-18-11-13-4-3-9-21-13)8-7-12-10-17-15-6-2-1-5-14(12)15/h1-6,9-11,17H,7-8H2,(H,19,20)/b18-11-
InChIKeyTXRZKAMVOVUUIR-WQRHYEAKSA-N
XLogP2.84
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
CID 74816610
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
CID 6124304
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538062
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1H-indol-3-yl)propanamide
CID 110889323
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide
CID 2862401
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[(E)-furan-2-ylmethylideneamino]-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 6897558

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide (CID 6049004) is N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)N/N=C\c1ccco1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide?
The InChIKey is TXRZKAMVOVUUIR-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-16(19-18-11-13-4-3-9-21-13)8-7-12-10-17-15-6-2-1-5-14(12)15/h1-6,9-11,17H,7-8H2,(H,19,20)/b18-11-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide?
N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide has a molecular weight of 281.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 6049004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).