N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide

C21H26N2O3 — CID 110838952

IUPACN-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide
SMILESCOc1ccccc1CNC(=O)CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-26-19-13-8-7-12-18(19)16-23-20(24)14-6-3-9-15-22-21(25)17-10-4-2-5-11-17/h2,4-5,7-8,10-13H,3,6,9,14-16H2,1H3,(H,22,25)(H,23,24)
InChIKeyJVFTXACMDLQIFV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.30
Rot. Bonds10

About N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide

N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide (PubChem CID 110838952) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide
PubChem CID110838952
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide
SMILESCOc1ccccc1CNC(=O)CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-26-19-13-8-7-12-18(19)16-23-20(24)14-6-3-9-15-22-21(25)17-10-4-2-5-11-17/h2,4-5,7-8,10-13H,3,6,9,14-16H2,1H3,(H,22,25)(H,23,24)
InChIKeyJVFTXACMDLQIFV-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 9246368
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
5-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pentanamide
CID 110297825
N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 55364516
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177
N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide
CID 110839352

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide (CID 110838952) is N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide is COc1ccccc1CNC(=O)CCCCCNC(=O)c1ccccc1.
What is the InChIKey of N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide?
The InChIKey is JVFTXACMDLQIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-26-19-13-8-7-12-18(19)16-23-20(24)14-6-3-9-15-22-21(25)17-10-4-2-5-11-17/h2,4-5,7-8,10-13H,3,6,9,14-16H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide?
N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide is sourced from PubChem (CID 110838952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).