2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide

C16H23NO3 — CID 919628

IUPAC2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide
SMILESCOc1ccccc1[C@@]1(CC(N)=O)CCOC(C)(C)C1
InChIInChI=1S/C16H23NO3/c1-15(2)11-16(8-9-20-15,10-14(17)18)12-6-4-5-7-13(12)19-3/h4-7H,8-11H2,1-3H3,(H2,17,18)/t16-/m1/s1
InChIKeyZLWGQDFLPYZCGT-MRXNPFEDSA-N
MW277.36 g/mol
LogP2.40
Rot. Bonds4

About 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide

2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide (PubChem CID 919628) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide
PubChem CID919628
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide
SMILESCOc1ccccc1[C@@]1(CC(N)=O)CCOC(C)(C)C1
InChIInChI=1S/C16H23NO3/c1-15(2)11-16(8-9-20-15,10-14(17)18)12-6-4-5-7-13(12)19-3/h4-7H,8-11H2,1-3H3,(H2,17,18)/t16-/m1/s1
InChIKeyZLWGQDFLPYZCGT-MRXNPFEDSA-N
XLogP2.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 45143532
2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 45143533
1-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-4-methylpiperazine;oxalic acid
CID 90485878
2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1427129
1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione
CID 7087291
2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 45143531
N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine
CID 15998000
N-benzyl-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]furan-2-carboxamide
CID 40815429
N-[[4-(dimethylamino)phenyl]methyl]-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 1119817
2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine
CID 83822618
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide
CID 118766604

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide?
The IUPAC name of 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide (CID 919628) is 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide.
What is the SMILES notation for 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide?
The canonical SMILES for 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide is COc1ccccc1[C@@]1(CC(N)=O)CCOC(C)(C)C1.
What is the InChIKey of 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide?
The InChIKey is ZLWGQDFLPYZCGT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23NO3/c1-15(2)11-16(8-9-20-15,10-14(17)18)12-6-4-5-7-13(12)19-3/h4-7H,8-11H2,1-3H3,(H2,17,18)/t16-/m1/s1.
What are the key properties of 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide?
2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide is sourced from PubChem (CID 919628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).