N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide

C12H24N2O2 — CID 119613092

IUPACN-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)NC(CN)C1CC1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-7-16-9-12(15)14-11(8-13)10-5-6-10/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyQJKTWHRVKSJDPR-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds9

About N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide

N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide (PubChem CID 119613092) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide
PubChem CID119613092
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)NC(CN)C1CC1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-7-16-9-12(15)14-11(8-13)10-5-6-10/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyQJKTWHRVKSJDPR-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
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

N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride
CID 119589204
N-[(2S)-1-aminopropan-2-yl]-2-pentoxyacetamide
CID 120506511
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
N-(2-amino-1-cyclopropylethyl)-3-(2-methoxyethoxy)propanamide
CID 119617079
2-decoxy-N-(1-hydroxyethyl)acetamide
CID 88812152
N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide
CID 119592153
2-tridecoxyacetamide
CID 54483018
N-(4-aminocyclohexyl)-2-pentoxyacetamide
CID 119474713
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
N-(2-amino-1-cyclopropylethyl)-N',N'-dimethylpropanediamide;hydrochloride
CID 119613235
2-decoxy-N-sulfanylacetamide
CID 150404301
N-(2-amino-1-cyclopropylethyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119612699

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide (CID 119613092) is N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide is CCCCCOCC(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide?
The InChIKey is QJKTWHRVKSJDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-4-7-16-9-12(15)14-11(8-13)10-5-6-10/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide?
N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide is sourced from PubChem (CID 119613092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).