2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide

C17H25NO3 — CID 94421971

IUPAC2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
SMILESCc1ccccc1CC(=O)NCCCOC[C@H]1CCCO1
InChIInChI=1S/C17H25NO3/c1-14-6-2-3-7-15(14)12-17(19)18-9-5-10-20-13-16-8-4-11-21-16/h2-3,6-7,16H,4-5,8-13H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyGCBBOKSUYIXUFN-MRXNPFEDSA-N
MW291.39 g/mol
LogP2.24
Rot. Bonds8

About 2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide

2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide (PubChem CID 94421971) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
PubChem CID94421971
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
SMILESCc1ccccc1CC(=O)NCCCOC[C@H]1CCCO1
InChIInChI=1S/C17H25NO3/c1-14-6-2-3-7-15(14)12-17(19)18-9-5-10-20-13-16-8-4-11-21-16/h2-3,6-7,16H,4-5,8-13H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyGCBBOKSUYIXUFN-MRXNPFEDSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
CID 120608330
2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 65350539
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 96534569
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide (CID 94421971) is 2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide is Cc1ccccc1CC(=O)NCCCOC[C@H]1CCCO1.
What is the InChIKey of 2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide?
The InChIKey is GCBBOKSUYIXUFN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25NO3/c1-14-6-2-3-7-15(14)12-17(19)18-9-5-10-20-13-16-8-4-11-21-16/h2-3,6-7,16H,4-5,8-13H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of 2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide?
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide is sourced from PubChem (CID 94421971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).