N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide

C18H28N2O — CID 106015467

IUPACN-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide
SMILESCCNc1cc(C)ccc1C(=O)NCCCC1CCCC1
InChIInChI=1S/C18H28N2O/c1-3-19-17-13-14(2)10-11-16(17)18(21)20-12-6-9-15-7-4-5-8-15/h10-11,13,15,19H,3-9,12H2,1-2H3,(H,20,21)
InChIKeyGVMBZAWQPHDXSU-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.13
Rot. Bonds7

About N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide

N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide (PubChem CID 106015467) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide
PubChem CID106015467
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide
SMILESCCNc1cc(C)ccc1C(=O)NCCCC1CCCC1
InChIInChI=1S/C18H28N2O/c1-3-19-17-13-14(2)10-11-16(17)18(21)20-12-6-9-15-7-4-5-8-15/h10-11,13,15,19H,3-9,12H2,1-2H3,(H,20,21)
InChIKeyGVMBZAWQPHDXSU-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylethyl)-2-hydroxy-4-methylbenzamide
CID 63526438
N-(2-cyclopentylethyl)-2-hydrazinyl-5-methylbenzamide
CID 62509764
2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
CID 62073408
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 78866046
N-(3-cyclopentylpropyl)-4-fluoro-2-hydroxybenzamide
CID 106011705
N-(3-cyclopentylpropyl)-2-fluoro-4-hydroxybenzamide
CID 103940047
N-(3-cyclopentylpropyl)-2-hydroxy-5-iodobenzamide
CID 106011699
2-(ethylamino)-4-methyl-N-(oxolan-3-yl)benzamide
CID 80714846
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)-4-methylbenzamide
CID 106241226
2-amino-N-(3-cyclopentylpropyl)-4-fluorobenzamide
CID 106006269

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide (CID 106015467) is N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide is CCNc1cc(C)ccc1C(=O)NCCCC1CCCC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide?
The InChIKey is GVMBZAWQPHDXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-19-17-13-14(2)10-11-16(17)18(21)20-12-6-9-15-7-4-5-8-15/h10-11,13,15,19H,3-9,12H2,1-2H3,(H,20,21).
What are the key properties of N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide?
N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-(ethylamino)-4-methylbenzamide is sourced from PubChem (CID 106015467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).