N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide

C21H28N2O2 — CID 959330

IUPACN-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCCN(CC)Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1
InChIInChI=1S/C21H28N2O2/c1-5-23(6-2)14-18-10-12-19(13-11-18)22-21(24)15-25-20-9-7-8-16(3)17(20)4/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)
InChIKeyARFFSGPCLPWMOD-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.16
Rot. Bonds8

About N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide

N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 959330) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID959330
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCCN(CC)Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1
InChIInChI=1S/C21H28N2O2/c1-5-23(6-2)14-18-10-12-19(13-11-18)22-21(24)15-25-20-9-7-8-16(3)17(20)4/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)
InChIKeyARFFSGPCLPWMOD-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]methyl-diethylazanium
CID 7470149
(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 99956563
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
N-[4-(diethylaminomethyl)phenyl]-2-phenoxyacetamide
CID 959344
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761130
propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720636
2-(2,3-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130266

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide (CID 959330) is N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide is CCN(CC)Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1.
What is the InChIKey of N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is ARFFSGPCLPWMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-23(6-2)14-18-10-12-19(13-11-18)22-21(24)15-25-20-9-7-8-16(3)17(20)4/h7-13H,5-6,14-15H2,1-4H3,(H,22,24).
What are the key properties of N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?
N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 959330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).