(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide

C16H23NO2 — CID 930235

IUPAC(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
SMILESCC1(C)C[C@H](C(=O)NCCc2ccccc2)CCO1
InChIInChI=1S/C16H23NO2/c1-16(2)12-14(9-11-19-16)15(18)17-10-8-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyNIZPESZJRYEETI-CQSZACIVSA-N
MW261.36 g/mol
LogP2.55
Rot. Bonds4

About (4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide

(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide (PubChem CID 930235) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
PubChem CID930235
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
SMILESCC1(C)C[C@H](C(=O)NCCc2ccccc2)CCO1
InChIInChI=1S/C16H23NO2/c1-16(2)12-14(9-11-19-16)15(18)17-10-8-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyNIZPESZJRYEETI-CQSZACIVSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 74244914
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553
(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 137108620
(4S)-N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxane-4-carboxamide
CID 26342023
2,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide
CID 131921433
(4S)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 125445372
(4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide
CID 930580
7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 3239408
2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
CID 114929283
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885829
N-[2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111135196
(4S)-N-[[4-benzyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,2-dimethyloxane-4-carboxamide
CID 26278371

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide?
The IUPAC name of (4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide (CID 930235) is (4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide.
What is the SMILES notation for (4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide?
The canonical SMILES for (4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide is CC1(C)C[C@H](C(=O)NCCc2ccccc2)CCO1.
What is the InChIKey of (4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide?
The InChIKey is NIZPESZJRYEETI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)12-14(9-11-19-16)15(18)17-10-8-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide?
(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide is sourced from PubChem (CID 930235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).