1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide

C18H25N3O — CID 39644042

IUPAC1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide
SMILESCCN(CCCNC(=O)C1(C#N)CCCC1)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-2-21(16-9-4-3-5-10-16)14-8-13-20-17(22)18(15-19)11-6-7-12-18/h3-5,9-10H,2,6-8,11-14H2,1H3,(H,20,22)
InChIKeyIXFMUXSHPJVHDA-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.10
Rot. Bonds7

About 1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide

1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide (PubChem CID 39644042) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide
PubChem CID39644042
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide
SMILESCCN(CCCNC(=O)C1(C#N)CCCC1)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-2-21(16-9-4-3-5-10-16)14-8-13-20-17(22)18(15-19)11-6-7-12-18/h3-5,9-10H,2,6-8,11-14H2,1H3,(H,20,22)
InChIKeyIXFMUXSHPJVHDA-UHFFFAOYSA-N
XLogP3.10
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide (CID 39644042) is 1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide is CCN(CCCNC(=O)C1(C#N)CCCC1)c1ccccc1.
What is the InChIKey of 1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide?
The InChIKey is IXFMUXSHPJVHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-21(16-9-4-3-5-10-16)14-8-13-20-17(22)18(15-19)11-6-7-12-18/h3-5,9-10H,2,6-8,11-14H2,1H3,(H,20,22).
What are the key properties of 1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide?
1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 39644042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).