N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide

C19H22N2O3 — CID 17188255

IUPACN-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C19H22N2O3/c1-4-18(22)20-15-6-5-7-16(11-15)21-19(23)12-24-17-10-13(2)8-9-14(17)3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyYEBDFUKRJHRPPQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.67
Rot. Bonds6

About N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide

N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 17188255) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
PubChem CID17188255
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C19H22N2O3/c1-4-18(22)20-15-6-5-7-16(11-15)21-19(23)12-24-17-10-13(2)8-9-14(17)3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyYEBDFUKRJHRPPQ-UHFFFAOYSA-N
XLogP3.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
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-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
2-(2,5-dimethylphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079566
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162321
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 38810050
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide (CID 17188255) is N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)COc2cc(C)ccc2C)c1.
What is the InChIKey of N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is YEBDFUKRJHRPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-18(22)20-15-6-5-7-16(11-15)21-19(23)12-24-17-10-13(2)8-9-14(17)3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 17188255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).