N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide

C17H26N2O — CID 110461342

IUPACN-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
SMILESCN(CCCNC(=O)C1CCCC1)Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-19(14-15-8-3-2-4-9-15)13-7-12-18-17(20)16-10-5-6-11-16/h2-4,8-9,16H,5-7,10-14H2,1H3,(H,18,20)
InChIKeyZGNUXGFSAJVROI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide

N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide (PubChem CID 110461342) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
PubChem CID110461342
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
SMILESCN(CCCNC(=O)C1CCCC1)Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-19(14-15-8-3-2-4-9-15)13-7-12-18-17(20)16-10-5-6-11-16/h2-4,8-9,16H,5-7,10-14H2,1H3,(H,18,20)
InChIKeyZGNUXGFSAJVROI-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 55529899
N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 42922904
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119862283
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 119862236
N-[3-[benzyl(methyl)amino]propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42896202
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 86915687
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea
CID 115573153
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide (CID 110461342) is N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide is CN(CCCNC(=O)C1CCCC1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide?
The InChIKey is ZGNUXGFSAJVROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(14-15-8-3-2-4-9-15)13-7-12-18-17(20)16-10-5-6-11-16/h2-4,8-9,16H,5-7,10-14H2,1H3,(H,18,20).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide?
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 110461342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).