4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide

C13H26N2O2 — CID 113280840

IUPAC4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide
SMILESCCC(C)CC(C)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-4-10(2)9-11(3)15-12(16)13(14)5-7-17-8-6-13/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyFDWCKXQGDXYQSZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds5

About 4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide

4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide (PubChem CID 113280840) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide
PubChem CID113280840
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide
SMILESCCC(C)CC(C)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-4-10(2)9-11(3)15-12(16)13(14)5-7-17-8-6-13/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyFDWCKXQGDXYQSZ-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

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Related Compounds

4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide
CID 115763417
4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide
CID 115294787
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid
CID 64894006
4-amino-N-(1-cyclopropylethyl)oxane-4-carboxamide
CID 115293707
4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide
CID 66264615
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
1-(4-aminooxan-4-yl)-2-methylpentan-1-one
CID 107890348
4-amino-N-propylsulfonyloxane-4-carboxamide
CID 103307647
4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
CID 112704033
4-amino-N-(dicyclopropylmethyl)oxane-4-carboxamide
CID 115294592

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide (CID 113280840) is 4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide is CCC(C)CC(C)NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide?
The InChIKey is FDWCKXQGDXYQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-10(2)9-11(3)15-12(16)13(14)5-7-17-8-6-13/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide?
4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide 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 4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 113280840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).