N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide

C12H23N3O2 — CID 118101644

IUPACN-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1CCCC1C(=O)NCCNC(C)=O
InChIInChI=1S/C12H23N3O2/c1-3-13-11-6-4-5-10(11)12(17)15-8-7-14-9(2)16/h10-11,13H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZPEFPDFGOPSSNG-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.02
Rot. Bonds6

About N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide

N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide (PubChem CID 118101644) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide
PubChem CID118101644
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1CCCC1C(=O)NCCNC(C)=O
InChIInChI=1S/C12H23N3O2/c1-3-13-11-6-4-5-10(11)12(17)15-8-7-14-9(2)16/h10-11,13H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZPEFPDFGOPSSNG-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
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 N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide (CID 118101644) is N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide is CCNC1CCCC1C(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide?
The InChIKey is ZPEFPDFGOPSSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-13-11-6-4-5-10(11)12(17)15-8-7-14-9(2)16/h10-11,13H,3-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide?
N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 118101644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).