N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide

C20H20N4O2 — CID 3422533

IUPACN-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
SMILESO=C(CCC(=O)NN=Cc1c[nH]c2ccccc12)NCc1ccccc1
InChIInChI=1S/C20H20N4O2/c25-19(22-12-15-6-2-1-3-7-15)10-11-20(26)24-23-14-16-13-21-18-9-5-4-8-17(16)18/h1-9,13-14,21H,10-12H2,(H,22,25)(H,24,26)
InChIKeyRFGKBKMXZSOJKJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.71
Rot. Bonds7

About N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide

N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide (PubChem CID 3422533) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
PubChem CID3422533
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
SMILESO=C(CCC(=O)NN=Cc1c[nH]c2ccccc12)NCc1ccccc1
InChIInChI=1S/C20H20N4O2/c25-19(22-12-15-6-2-1-3-7-15)10-11-20(26)24-23-14-16-13-21-18-9-5-4-8-17(16)18/h1-9,13-14,21H,10-12H2,(H,22,25)(H,24,26)
InChIKeyRFGKBKMXZSOJKJ-UHFFFAOYSA-N
XLogP2.71
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.71
H-Bond Donors ≤ 53
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-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
1-benzyl-3-[(Z)-1H-indol-3-ylmethylideneamino]thiourea
CID 136661043
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
N-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4153907
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-4-oxobutanamide
CID 172933261
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-(3,4-dimethylphenyl)-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136720944
N-(1H-indol-3-ylmethylideneamino)-3-(4-methylpiperazin-1-yl)propanamide
CID 790904

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide?
The IUPAC name of N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide (CID 3422533) is N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide.
What is the SMILES notation for N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide?
The canonical SMILES for N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide is O=C(CCC(=O)NN=Cc1c[nH]c2ccccc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide?
The InChIKey is RFGKBKMXZSOJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(22-12-15-6-2-1-3-7-15)10-11-20(26)24-23-14-16-13-21-18-9-5-4-8-17(16)18/h1-9,13-14,21H,10-12H2,(H,22,25)(H,24,26).
What are the key properties of N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide?
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide has a molecular weight of 348.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide is sourced from PubChem (CID 3422533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).