N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide

C21H26N2O3 — CID 38810050

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCCN(Cc1cccc(NC(=O)COc2cc(C)ccc2C)c1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-5-23(17(4)24)13-18-7-6-8-19(12-18)22-21(25)14-26-20-11-15(2)9-10-16(20)3/h6-12H,5,13-14H2,1-4H3,(H,22,25)
InChIKeyUGFMMTRGWWSPCH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.69
Rot. Bonds7

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 38810050) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID38810050
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCCN(Cc1cccc(NC(=O)COc2cc(C)ccc2C)c1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-5-23(17(4)24)13-18-7-6-8-19(12-18)22-21(25)14-26-20-11-15(2)9-10-16(20)3/h6-12H,5,13-14H2,1-4H3,(H,22,25)
InChIKeyUGFMMTRGWWSPCH-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 46440379
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162321
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167371
2-(2,5-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123518
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 19167555
N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
CID 34333863
2-(2,5-dimethylphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079566
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide
CID 55760971

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide (CID 38810050) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide is CCN(Cc1cccc(NC(=O)COc2cc(C)ccc2C)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is UGFMMTRGWWSPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-23(17(4)24)13-18-7-6-8-19(12-18)22-21(25)14-26-20-11-15(2)9-10-16(20)3/h6-12H,5,13-14H2,1-4H3,(H,22,25).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 38810050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).