4-(2-aminoethyl)-N-cyclopentyloxybenzamide

C14H20N2O2 — CID 83235858

IUPAC4-(2-aminoethyl)-N-cyclopentyloxybenzamide
SMILESNCCc1ccc(C(=O)NOC2CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-10-9-11-5-7-12(8-6-11)14(17)16-18-13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2,(H,16,17)
InChIKeyDFHGBXBVSNMKBR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.79
Rot. Bonds5

About 4-(2-aminoethyl)-N-cyclopentyloxybenzamide

4-(2-aminoethyl)-N-cyclopentyloxybenzamide (PubChem CID 83235858) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-cyclopentyloxybenzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-cyclopentyloxybenzamide
PubChem CID83235858
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(2-aminoethyl)-N-cyclopentyloxybenzamide
SMILESNCCc1ccc(C(=O)NOC2CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-10-9-11-5-7-12(8-6-11)14(17)16-18-13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2,(H,16,17)
InChIKeyDFHGBXBVSNMKBR-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide
CID 83201776
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
cyclohexylmethyl 4-(2-aminoethyl)benzoate
CID 55068002
N-cyclopentyloxy-4-prop-2-enoxybenzamide
CID 83202037
5-(aminomethyl)-N-cyclopentyloxyfuran-2-carboxamide
CID 83236233
4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide
CID 64748627
N-cyclopentyloxy-3-hydroxy-4-methylbenzamide
CID 83235676
N-cyclopentyloxy-3,5-difluorobenzamide
CID 83202361
5-bromo-N-cyclopentyloxyfuran-2-carboxamide
CID 83202863
N-cyclopentyloxyfuran-2-carboxamide
CID 83201943
4-(2-aminoethyl)-N-cyanobenzamide
CID 79194320
4-bromo-N-cyclopentyloxy-3-(trifluoromethyl)benzamide
CID 83202017

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-cyclopentyloxybenzamide?
The IUPAC name of 4-(2-aminoethyl)-N-cyclopentyloxybenzamide (CID 83235858) is 4-(2-aminoethyl)-N-cyclopentyloxybenzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-cyclopentyloxybenzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-cyclopentyloxybenzamide is NCCc1ccc(C(=O)NOC2CCCC2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-cyclopentyloxybenzamide?
The InChIKey is DFHGBXBVSNMKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-10-9-11-5-7-12(8-6-11)14(17)16-18-13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2,(H,16,17).
What are the key properties of 4-(2-aminoethyl)-N-cyclopentyloxybenzamide?
4-(2-aminoethyl)-N-cyclopentyloxybenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-cyclopentyloxybenzamide is sourced from PubChem (CID 83235858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).