2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

C17H27N3O — CID 79578049

IUPAC2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCN(CCC1CCCC1(NC)C(N)=O)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-3-20(15-9-5-4-6-10-15)13-11-14-8-7-12-17(14,19-2)16(18)21/h4-6,9-10,14,19H,3,7-8,11-13H2,1-2H3,(H2,18,21)
InChIKeyLWCKVYPDNWUGCT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.15
Rot. Bonds7

About 2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79578049) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79578049
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCN(CCC1CCCC1(NC)C(N)=O)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-3-20(15-9-5-4-6-10-15)13-11-14-8-7-12-17(14,19-2)16(18)21/h4-6,9-10,14,19H,3,7-8,11-13H2,1-2H3,(H2,18,21)
InChIKeyLWCKVYPDNWUGCT-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (CID 79578049) is 2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is CCN(CCC1CCCC1(NC)C(N)=O)c1ccccc1.
What is the InChIKey of 2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is LWCKVYPDNWUGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(15-9-5-4-6-10-15)13-11-14-8-7-12-17(14,19-2)16(18)21/h4-6,9-10,14,19H,3,7-8,11-13H2,1-2H3,(H2,18,21).
What are the key properties of 2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79578049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).