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

C21H22N4O2 — CID 135569761

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H22N4O2/c1-2-3-11-20(26)24-17-8-6-7-15(12-17)21(27)25-23-14-16-13-22-19-10-5-4-9-18(16)19/h4-10,12-14,22H,2-3,11H2,1H3,(H,24,26)(H,25,27)/b23-14+
InChIKeyWMRFRYAGSQZADA-OEAKJJBVSA-N
MW362.43 g/mol
LogP4.06
Rot. Bonds7

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

N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide (PubChem CID 135569761) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide
PubChem CID135569761
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H22N4O2/c1-2-3-11-20(26)24-17-8-6-7-15(12-17)21(27)25-23-14-16-13-22-19-10-5-4-9-18(16)19/h4-10,12-14,22H,2-3,11H2,1H3,(H,24,26)(H,25,27)/b23-14+
InChIKeyWMRFRYAGSQZADA-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'}

Analyze N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide
CID 135678489
3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136897265
N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135957370
3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 171135949
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N-(3,4-dimethylphenyl)-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136720944
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
3-[(1H-indol-3-ylmethylideneamino)carbamothioylamino]benzoic acid
CID 3250779
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
N-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4153907

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide (CID 135569761) is N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide is CCCCC(=O)Nc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide?
The InChIKey is WMRFRYAGSQZADA-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-3-11-20(26)24-17-8-6-7-15(12-17)21(27)25-23-14-16-13-22-19-10-5-4-9-18(16)19/h4-10,12-14,22H,2-3,11H2,1H3,(H,24,26)(H,25,27)/b23-14+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(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]-3-(pentanoylamino)benzamide is sourced from PubChem (CID 135569761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).