N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide

C21H27N3O2 — CID 54795554

IUPACN-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CCc2cccc(N)c2)c1
InChIInChI=1S/C21H27N3O2/c1-2-3-4-11-20(25)23-18-9-6-10-19(15-18)24-21(26)13-12-16-7-5-8-17(22)14-16/h5-10,14-15H,2-4,11-13,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyYRVHOYWPQBXYJO-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.36
Rot. Bonds9

About N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide

N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide (PubChem CID 54795554) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
PubChem CID54795554
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CCc2cccc(N)c2)c1
InChIInChI=1S/C21H27N3O2/c1-2-3-4-11-20(25)23-18-9-6-10-19(15-18)24-21(26)13-12-16-7-5-8-17(22)14-16/h5-10,14-15H,2-4,11-13,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyYRVHOYWPQBXYJO-UHFFFAOYSA-N
XLogP4.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
3-[3-(3-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795602
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
N-(3-ethylphenyl)decanamide
CID 4053743
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
3-(3-aminophenyl)-N-(3-nitrophenyl)propanamide
CID 115341147
3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide?
The IUPAC name of N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide (CID 54795554) is N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide?
The canonical SMILES for N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NC(=O)CCc2cccc(N)c2)c1.
What is the InChIKey of N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide?
The InChIKey is YRVHOYWPQBXYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-3-4-11-20(25)23-18-9-6-10-19(15-18)24-21(26)13-12-16-7-5-8-17(22)14-16/h5-10,14-15H,2-4,11-13,22H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide?
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide has a molecular weight of 353.47 g/mol, XLogP of 4.36, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide is sourced from PubChem (CID 54795554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).