2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C16H33N3O2 — CID 81044055

IUPAC2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCCOCCN(C)CCC1CCCC1(NC(C)C)C(N)=O
InChIInChI=1S/C16H33N3O2/c1-5-21-12-11-19(4)10-8-14-7-6-9-16(14,15(17)20)18-13(2)3/h13-14,18H,5-12H2,1-4H3,(H2,17,20)
InChIKeyBBBOKRIZUYBARI-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.37
Rot. Bonds10

About 2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 81044055) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID81044055
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCCOCCN(C)CCC1CCCC1(NC(C)C)C(N)=O
InChIInChI=1S/C16H33N3O2/c1-5-21-12-11-19(4)10-8-14-7-6-9-16(14,15(17)20)18-13(2)3/h13-14,18H,5-12H2,1-4H3,(H2,17,20)
InChIKeyBBBOKRIZUYBARI-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79577892
2-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79565645
2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 81062489
2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79564978
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564236
1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
CID 79581093
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79577899
1-(methylamino)-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79564710
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564467
1-(propan-2-ylamino)-2-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 79575874
2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79578077
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564755

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 81044055) is 2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CCOCCN(C)CCC1CCCC1(NC(C)C)C(N)=O.
What is the InChIKey of 2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is BBBOKRIZUYBARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-21-12-11-19(4)10-8-14-7-6-9-16(14,15(17)20)18-13(2)3/h13-14,18H,5-12H2,1-4H3,(H2,17,20).
What are the key properties of 2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 299.46 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 81044055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).