N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide

C19H23NO3 — CID 133162576

IUPACN-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
SMILESCOc1ccccc1OCC(C)NC(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H23NO3/c1-13-9-10-14(2)16(11-13)19(21)20-15(3)12-23-18-8-6-5-7-17(18)22-4/h5-11,15H,12H2,1-4H3,(H,20,21)
InChIKeyNPFMLWXTTDWMQM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide

N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide (PubChem CID 133162576) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
PubChem CID133162576
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
SMILESCOc1ccccc1OCC(C)NC(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H23NO3/c1-13-9-10-14(2)16(11-13)19(21)20-15(3)12-23-18-8-6-5-7-17(18)22-4/h5-11,15H,12H2,1-4H3,(H,20,21)
InChIKeyNPFMLWXTTDWMQM-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 100614435
2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625056
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133163829
2,4-dimethyl-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 133201539
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
CID 133160972
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
CID 94625096
2-methoxy-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100529408
N-(4-bromobutan-2-yl)-2,5-dimethylbenzamide
CID 83179546
1-(2-methoxy-6-methylphenyl)-3-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]urea
CID 125168159

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide?
The IUPAC name of N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide (CID 133162576) is N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide is COc1ccccc1OCC(C)NC(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide?
The InChIKey is NPFMLWXTTDWMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-9-10-14(2)16(11-13)19(21)20-15(3)12-23-18-8-6-5-7-17(18)22-4/h5-11,15H,12H2,1-4H3,(H,20,21).
What are the key properties of N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide?
N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide is sourced from PubChem (CID 133162576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).