N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide

C21H25NO3 — CID 7788075

IUPACN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H25NO3/c1-5-20(23)17-8-10-19(11-9-17)25-13-21(24)22-16(4)18-7-6-14(2)15(3)12-18/h6-12,16H,5,13H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyWFFLQITXLKFNIK-MRXNPFEDSA-N
MW339.44 g/mol
LogP4.15
Rot. Bonds7

About N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 7788075) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID7788075
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H25NO3/c1-5-20(23)17-8-10-19(11-9-17)25-13-21(24)22-16(4)18-7-6-14(2)15(3)12-18/h6-12,16H,5,13H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyWFFLQITXLKFNIK-MRXNPFEDSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-naphthalen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 7733632
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788222
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678944
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 8604827
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788220
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7816643
2-(3,4-difluorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 24608166
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 35891231
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750488
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884556

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide (CID 7788075) is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is WFFLQITXLKFNIK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25NO3/c1-5-20(23)17-8-10-19(11-9-17)25-13-21(24)22-16(4)18-7-6-14(2)15(3)12-18/h6-12,16H,5,13H2,1-4H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 339.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 7788075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).