3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide

C18H21NO2 — CID 43006794

IUPAC3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
SMILESCc1cccc(OCCC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-14-7-6-10-17(13-14)21-12-11-18(20)19-15(2)16-8-4-3-5-9-16/h3-10,13,15H,11-12H2,1-2H3,(H,19,20)
InChIKeyCBINLCAWKDWVBC-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.64
Rot. Bonds6

About 3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide

3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide (PubChem CID 43006794) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
PubChem CID43006794
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
SMILESCc1cccc(OCCC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-14-7-6-10-17(13-14)21-12-11-18(20)19-15(2)16-8-4-3-5-9-16/h3-10,13,15H,11-12H2,1-2H3,(H,19,20)
InChIKeyCBINLCAWKDWVBC-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
CID 2469859
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167462
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167460
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
CID 46469859
(2S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]pentanoic acid
CID 61174129
N-(1-chloropropan-2-yl)-3-(3-methylphenoxy)propanamide
CID 114299616
N-[2-oxo-2-(1-phenylethylamino)ethyl]-3-phenoxypropanamide
CID 112992328
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
(2S)-3,3-dimethyl-2-[3-(3-methylphenoxy)propanoylamino]butanoic acid
CID 61143659
N-(1-iodo-3-methylbutan-2-yl)-3-(3-methylphenoxy)propanamide
CID 107860093

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide (CID 43006794) is 3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide is Cc1cccc(OCCC(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide?
The InChIKey is CBINLCAWKDWVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-7-6-10-17(13-14)21-12-11-18(20)19-15(2)16-8-4-3-5-9-16/h3-10,13,15H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide?
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide has a molecular weight of 283.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 43006794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).