2-(methylaminomethyl)-N-(7-oxooctyl)benzamide

C17H26N2O2 — CID 143733170

IUPAC2-(methylaminomethyl)-N-(7-oxooctyl)benzamide
SMILESCNCc1ccccc1C(=O)NCCCCCCC(C)=O
InChIInChI=1S/C17H26N2O2/c1-14(20)9-5-3-4-8-12-19-17(21)16-11-7-6-10-15(16)13-18-2/h6-7,10-11,18H,3-5,8-9,12-13H2,1-2H3,(H,19,21)
InChIKeyMGPSJVROXNEYJF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.68
Rot. Bonds10

About 2-(methylaminomethyl)-N-(7-oxooctyl)benzamide

2-(methylaminomethyl)-N-(7-oxooctyl)benzamide (PubChem CID 143733170) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(7-oxooctyl)benzamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(7-oxooctyl)benzamide
PubChem CID143733170
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(methylaminomethyl)-N-(7-oxooctyl)benzamide
SMILESCNCc1ccccc1C(=O)NCCCCCCC(C)=O
InChIInChI=1S/C17H26N2O2/c1-14(20)9-5-3-4-8-12-19-17(21)16-11-7-6-10-15(16)13-18-2/h6-7,10-11,18H,3-5,8-9,12-13H2,1-2H3,(H,19,21)
InChIKeyMGPSJVROXNEYJF-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.68
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

2-hydroxy-N-(10-oxoundecyl)benzamide
CID 21335630
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644
2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
4-N-[13-(methylamino)-6-oxotridecyl]-1-N-(6-oxoheptyl)benzene-1,4-dicarboxamide
CID 153153765
5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
CID 62031956
4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
N-(6-hydroxyhexyl)-2-(methoxymethyl)benzamide
CID 103919534
N-(4-oxopentyl)benzamide
CID 10798281
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429539

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(7-oxooctyl)benzamide?
The IUPAC name of 2-(methylaminomethyl)-N-(7-oxooctyl)benzamide (CID 143733170) is 2-(methylaminomethyl)-N-(7-oxooctyl)benzamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(7-oxooctyl)benzamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(7-oxooctyl)benzamide is CNCc1ccccc1C(=O)NCCCCCCC(C)=O.
What is the InChIKey of 2-(methylaminomethyl)-N-(7-oxooctyl)benzamide?
The InChIKey is MGPSJVROXNEYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(20)9-5-3-4-8-12-19-17(21)16-11-7-6-10-15(16)13-18-2/h6-7,10-11,18H,3-5,8-9,12-13H2,1-2H3,(H,19,21).
What are the key properties of 2-(methylaminomethyl)-N-(7-oxooctyl)benzamide?
2-(methylaminomethyl)-N-(7-oxooctyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(7-oxooctyl)benzamide is sourced from PubChem (CID 143733170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).