4-amino-N-hexyloxolane-3-carboxamide

C11H22N2O2 — CID 66238816

IUPAC4-amino-N-hexyloxolane-3-carboxamide
SMILESCCCCCCNC(=O)C1COCC1N
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-6-13-11(14)9-7-15-8-10(9)12/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyRGUHUEHKCKFPKF-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.66
Rot. Bonds6

About 4-amino-N-hexyloxolane-3-carboxamide

4-amino-N-hexyloxolane-3-carboxamide (PubChem CID 66238816) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-N-hexyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-hexyloxolane-3-carboxamide
PubChem CID66238816
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-N-hexyloxolane-3-carboxamide
SMILESCCCCCCNC(=O)C1COCC1N
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-6-13-11(14)9-7-15-8-10(9)12/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyRGUHUEHKCKFPKF-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.66
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

7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid
CID 66235647
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate
CID 66237074
4-amino-N-(2-ethoxyethyl)oxolane-3-carboxamide
CID 66239012
4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide
CID 66241397
4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66237706
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide
CID 114134099
4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
CID 66237269
4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide
CID 66237884
4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 113410096
ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate
CID 102105177
4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 66235652

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hexyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-hexyloxolane-3-carboxamide (CID 66238816) is 4-amino-N-hexyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-hexyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-hexyloxolane-3-carboxamide is CCCCCCNC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-hexyloxolane-3-carboxamide?
The InChIKey is RGUHUEHKCKFPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-4-5-6-13-11(14)9-7-15-8-10(9)12/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-hexyloxolane-3-carboxamide?
4-amino-N-hexyloxolane-3-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hexyloxolane-3-carboxamide is sourced from PubChem (CID 66238816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).