N-hexyl-4-(methylamino)oxolane-3-carboxamide

C12H24N2O2 — CID 66266175

IUPACN-hexyl-4-(methylamino)oxolane-3-carboxamide
SMILESCCCCCCNC(=O)C1COCC1NC
InChIInChI=1S/C12H24N2O2/c1-3-4-5-6-7-14-12(15)10-8-16-9-11(10)13-2/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyMBTVTFPDYZBVPU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds7

About N-hexyl-4-(methylamino)oxolane-3-carboxamide

N-hexyl-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66266175) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-hexyl-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-4-(methylamino)oxolane-3-carboxamide
PubChem CID66266175
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-hexyl-4-(methylamino)oxolane-3-carboxamide
SMILESCCCCCCNC(=O)C1COCC1NC
InChIInChI=1S/C12H24N2O2/c1-3-4-5-6-7-14-12(15)10-8-16-9-11(10)13-2/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyMBTVTFPDYZBVPU-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
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

4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
1-[4-(methylamino)oxolan-3-yl]octan-1-one
CID 116561320
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
CID 66267744
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
N-[2-(ethylsulfamoyl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 106337013
7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 113487594
4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide
CID 114127316
N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267245
4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide
CID 82941679
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256718
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-hexyl-4-(methylamino)oxolane-3-carboxamide (CID 66266175) is N-hexyl-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-hexyl-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-hexyl-4-(methylamino)oxolane-3-carboxamide is CCCCCCNC(=O)C1COCC1NC.
What is the InChIKey of N-hexyl-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is MBTVTFPDYZBVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-5-6-7-14-12(15)10-8-16-9-11(10)13-2/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-hexyl-4-(methylamino)oxolane-3-carboxamide?
N-hexyl-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66266175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).