4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide

C14H28N2O2 — CID 102905819

IUPAC4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
SMILESCC(C)C(CNC(=O)C1(N)CCOCC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)12(11(3)4)9-16-13(17)14(15)5-7-18-8-6-14/h10-12H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyNWJLXFSQMRJMJD-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.54
Rot. Bonds5

About 4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide

4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide (PubChem CID 102905819) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
PubChem CID102905819
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
SMILESCC(C)C(CNC(=O)C1(N)CCOCC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)12(11(3)4)9-16-13(17)14(15)5-7-18-8-6-14/h10-12H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyNWJLXFSQMRJMJD-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102906074
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide
CID 115294618
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115294865
4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
4-amino-N-(2-ethylhexyl)oxane-4-carboxamide
CID 113280697
4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 115295165
4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
CID 112704033
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-amino-N-butyloxane-4-carboxamide
CID 115293500
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide
CID 64892611

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide (CID 102905819) is 4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide is CC(C)C(CNC(=O)C1(N)CCOCC1)C(C)C.
What is the InChIKey of 4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide?
The InChIKey is NWJLXFSQMRJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)12(11(3)4)9-16-13(17)14(15)5-7-18-8-6-14/h10-12H,5-9,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide?
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide is sourced from PubChem (CID 102905819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).