N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide

C21H22N4O2 — CID 135678489

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N4O2/c1-2-3-8-20(26)24-17-11-9-15(10-12-17)21(27)25-23-14-16-13-22-19-7-5-4-6-18(16)19/h4-7,9-14,22H,2-3,8H2,1H3,(H,24,26)(H,25,27)/b23-14+
InChIKeyQBOVSENKINLMHG-OEAKJJBVSA-N
MW362.43 g/mol
LogP4.06
Rot. Bonds7

About N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide

N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide (PubChem CID 135678489) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide
PubChem CID135678489
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N4O2/c1-2-3-8-20(26)24-17-11-9-15(10-12-17)21(27)25-23-14-16-13-22-19-7-5-4-6-18(16)19/h4-7,9-14,22H,2-3,8H2,1H3,(H,24,26)(H,25,27)/b23-14+
InChIKeyQBOVSENKINLMHG-OEAKJJBVSA-N
XLogP4.06
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.06
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]-3-(pentanoylamino)benzamide
CID 135569761
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3694322
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4926033
N-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4153907
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide (CID 135678489) is N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide?
The InChIKey is QBOVSENKINLMHG-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-3-8-20(26)24-17-11-9-15(10-12-17)21(27)25-23-14-16-13-22-19-7-5-4-6-18(16)19/h4-7,9-14,22H,2-3,8H2,1H3,(H,24,26)(H,25,27)/b23-14+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide has a molecular weight of 362.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide is sourced from PubChem (CID 135678489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).