2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide

C13H26N2O2 — CID 77009240

IUPAC2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCCOC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11(14)12(16)15-8-9-17-10-6-4-5-7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyYSEGINMWCLTSKT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide

2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide (PubChem CID 77009240) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide
PubChem CID77009240
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCCOC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11(14)12(16)15-8-9-17-10-6-4-5-7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyYSEGINMWCLTSKT-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-cyclopentyloxyethyl)-3-methylbutanamide
CID 63828819
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride
CID 119723107
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 63827048
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
(2R)-2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 103795665
(2R)-2-amino-N-(2-cyclohexyloxyethyl)pentanamide
CID 98582827
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
(2S)-2-amino-N-(2-cyclopentyloxyethyl)hexanamide
CID 98585845
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096
(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
CID 119741871
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111428431

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide (CID 77009240) is 2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NCCOC1CCCC1.
What is the InChIKey of 2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide?
The InChIKey is YSEGINMWCLTSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)11(14)12(16)15-8-9-17-10-6-4-5-7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide?
2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 77009240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).