N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide

C16H24N2O — CID 43459851

IUPACN-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(Cc1ccccc1N)C(=O)C1CCCC1
InChIInChI=1S/C16H24N2O/c1-2-11-18(16(19)13-7-3-4-8-13)12-14-9-5-6-10-15(14)17/h5-6,9-10,13H,2-4,7-8,11-12,17H2,1H3
InChIKeyQCGQPLLERLZNLF-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.20
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide

N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide (PubChem CID 43459851) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
PubChem CID43459851
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(Cc1ccccc1N)C(=O)C1CCCC1
InChIInChI=1S/C16H24N2O/c1-2-11-18(16(19)13-7-3-4-8-13)12-14-9-5-6-10-15(14)17/h5-6,9-10,13H,2-4,7-8,11-12,17H2,1H3
InChIKeyQCGQPLLERLZNLF-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-N-propylthiane-2-carboxamide
CID 80594163
N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
CID 43459677
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
CID 60921545
N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide
CID 43459852
2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
CID 43459942
1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea
CID 116653604
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide
CID 61272179
N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide
CID 106683116
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
2-[(2-aminophenyl)methyl-propylamino]propanamide
CID 43459967

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide (CID 43459851) is N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide is CCCN(Cc1ccccc1N)C(=O)C1CCCC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide?
The InChIKey is QCGQPLLERLZNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-11-18(16(19)13-7-3-4-8-13)12-14-9-5-6-10-15(14)17/h5-6,9-10,13H,2-4,7-8,11-12,17H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide?
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide is sourced from PubChem (CID 43459851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).