4-amino-N-(2-ethylhexyl)oxane-4-carboxamide

C14H28N2O2 — CID 113280697

IUPAC4-amino-N-(2-ethylhexyl)oxane-4-carboxamide
SMILESCCCCC(CC)CNC(=O)C1(N)CCOCC1
InChIInChI=1S/C14H28N2O2/c1-3-5-6-12(4-2)11-16-13(17)14(15)7-9-18-10-8-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyOUVDDSKRRLEEOC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.83
Rot. Bonds7

About 4-amino-N-(2-ethylhexyl)oxane-4-carboxamide

4-amino-N-(2-ethylhexyl)oxane-4-carboxamide (PubChem CID 113280697) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-amino-N-(2-ethylhexyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylhexyl)oxane-4-carboxamide
PubChem CID113280697
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-amino-N-(2-ethylhexyl)oxane-4-carboxamide
SMILESCCCCC(CC)CNC(=O)C1(N)CCOCC1
InChIInChI=1S/C14H28N2O2/c1-3-5-6-12(4-2)11-16-13(17)14(15)7-9-18-10-8-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyOUVDDSKRRLEEOC-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(2-ethylhexyl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-(2-propylhexyl)cyclopentane-1-carboxamide
CID 119339779
1-(2-ethylhexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 103941259
4-amino-N-butyloxane-4-carboxamide
CID 115293500
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one
CID 116579447
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
1-amino-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 106116803
1-carbamothioyl-N-(2-ethylhexyl)-3-methylcyclobutane-1-carboxamide
CID 107815240
1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 113363228
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide
CID 103725573

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylhexyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-ethylhexyl)oxane-4-carboxamide (CID 113280697) is 4-amino-N-(2-ethylhexyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethylhexyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethylhexyl)oxane-4-carboxamide is CCCCC(CC)CNC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(2-ethylhexyl)oxane-4-carboxamide?
The InChIKey is OUVDDSKRRLEEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-6-12(4-2)11-16-13(17)14(15)7-9-18-10-8-14/h12H,3-11,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(2-ethylhexyl)oxane-4-carboxamide?
4-amino-N-(2-ethylhexyl)oxane-4-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylhexyl)oxane-4-carboxamide is sourced from PubChem (CID 113280697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).