N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C14H17NO3 — CID 146504800

IUPACN-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCc1cccc(CC(=O)N(C)[C@H]2CCOC2=O)c1
InChIInChI=1S/C14H17NO3/c1-10-4-3-5-11(8-10)9-13(16)15(2)12-6-7-18-14(12)17/h3-5,8,12H,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeyGXKDVRSMWQXUDG-LBPRGKRZSA-N
MW247.29 g/mol
LogP1.31
Rot. Bonds3

About N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 146504800) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID146504800
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCc1cccc(CC(=O)N(C)[C@H]2CCOC2=O)c1
InChIInChI=1S/C14H17NO3/c1-10-4-3-5-11(8-10)9-13(16)15(2)12-6-7-18-14(12)17/h3-5,8,12H,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeyGXKDVRSMWQXUDG-LBPRGKRZSA-N
XLogP1.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796110
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368
4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 104698086
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
CID 55096319
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110751168
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methylphenyl)propan-1-one
CID 63710119
N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110710559
N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)-2-phenylethanethioamide
CID 152689807
2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62626750
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 29023368

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 146504800) is N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is Cc1cccc(CC(=O)N(C)[C@H]2CCOC2=O)c1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is GXKDVRSMWQXUDG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-4-3-5-11(8-10)9-13(16)15(2)12-6-7-18-14(12)17/h3-5,8,12H,6-7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 247.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 146504800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).