(4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide

C14H25NO2 — CID 929883

IUPAC(4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide
SMILESCC1(C)C[C@@H](C(=O)NC2CCCCC2)CCO1
InChIInChI=1S/C14H25NO2/c1-14(2)10-11(8-9-17-14)13(16)15-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyATIGWZIUOICJKZ-NSHDSACASA-N
MW239.36 g/mol
LogP2.64
Rot. Bonds2

About (4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide

(4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide (PubChem CID 929883) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide
PubChem CID929883
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide
SMILESCC1(C)C[C@@H](C(=O)NC2CCCCC2)CCO1
InChIInChI=1S/C14H25NO2/c1-14(2)10-11(8-9-17-14)13(16)15-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyATIGWZIUOICJKZ-NSHDSACASA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide?
The IUPAC name of (4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide (CID 929883) is (4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide.
What is the SMILES notation for (4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide?
The canonical SMILES for (4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide is CC1(C)C[C@@H](C(=O)NC2CCCCC2)CCO1.
What is the InChIKey of (4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide?
The InChIKey is ATIGWZIUOICJKZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2)10-11(8-9-17-14)13(16)15-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide?
(4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide is sourced from PubChem (CID 929883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).