N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide

C20H25N3O2 — CID 56654642

IUPACN-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyVOPDXHFYDJAYNS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.51
Rot. Bonds8

About N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide

N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide (PubChem CID 56654642) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide
PubChem CID56654642
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyVOPDXHFYDJAYNS-UHFFFAOYSA-N
XLogP3.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide?
The IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide (CID 56654642) is N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide?
The canonical SMILES for N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide?
The InChIKey is VOPDXHFYDJAYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide?
N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide is sourced from PubChem (CID 56654642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).