N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide

C17H23NO2 — CID 125444862

IUPACN-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESCc1ccccc1CC1(NC(=O)C[C@H]2CCOC2)CC1
InChIInChI=1S/C17H23NO2/c1-13-4-2-3-5-15(13)11-17(7-8-17)18-16(19)10-14-6-9-20-12-14/h2-5,14H,6-12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyJDZJIWZTIMBUOV-CQSZACIVSA-N
MW273.38 g/mol
LogP2.61
Rot. Bonds5

About N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide

N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide (PubChem CID 125444862) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide
PubChem CID125444862
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESCc1ccccc1CC1(NC(=O)C[C@H]2CCOC2)CC1
InChIInChI=1S/C17H23NO2/c1-13-4-2-3-5-15(13)11-17(7-8-17)18-16(19)10-14-6-9-20-12-14/h2-5,14H,6-12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyJDZJIWZTIMBUOV-CQSZACIVSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 125174792
N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 125442413
2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide
CID 125440939
N-(1-methylcyclopropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 130676396
2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide
CID 82133784
N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide
CID 122561612
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
CID 122559595
(2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
CID 125438025
N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide
CID 114170463
1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone
CID 103986180
N-(1-cyclopentylcyclopropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 125446759
N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide
CID 161136369

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide (CID 125444862) is N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide is Cc1ccccc1CC1(NC(=O)C[C@H]2CCOC2)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide?
The InChIKey is JDZJIWZTIMBUOV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-4-2-3-5-15(13)11-17(7-8-17)18-16(19)10-14-6-9-20-12-14/h2-5,14H,6-12H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide?
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide is sourced from PubChem (CID 125444862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).