N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide

C18H20N2O3 — CID 883065

IUPACN-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)COc2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O3/c1-3-17(21)19-14-7-5-8-15(11-14)20-18(22)12-23-16-9-4-6-13(2)10-16/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGCHKGFDXNAFLPQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.36
Rot. Bonds6

About N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide

N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 883065) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
PubChem CID883065
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)COc2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O3/c1-3-17(21)19-14-7-5-8-15(11-14)20-18(22)12-23-16-9-4-6-13(2)10-16/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGCHKGFDXNAFLPQ-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
(3,5-dimethylphenyl) 2-[3-(propanoylamino)phenoxy]acetate
CID 18870324
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide (CID 883065) is N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)COc2cccc(C)c2)c1.
What is the InChIKey of N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is GCHKGFDXNAFLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-17(21)19-14-7-5-8-15(11-14)20-18(22)12-23-16-9-4-6-13(2)10-16/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 312.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 883065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).