N'-(5-methyl-2-phenoxyphenyl)propanediamide

C16H16N2O3 — CID 155950996

IUPACN'-(5-methyl-2-phenoxyphenyl)propanediamide
SMILESCc1ccc(Oc2ccccc2)c(NC(=O)CC(N)=O)c1
InChIInChI=1S/C16H16N2O3/c1-11-7-8-14(21-12-5-3-2-4-6-12)13(9-11)18-16(20)10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyPVWZYSANJYYJPW-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.60
Rot. Bonds5

About N'-(5-methyl-2-phenoxyphenyl)propanediamide

N'-(5-methyl-2-phenoxyphenyl)propanediamide (PubChem CID 155950996) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N'-(5-methyl-2-phenoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(5-methyl-2-phenoxyphenyl)propanediamide
PubChem CID155950996
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN'-(5-methyl-2-phenoxyphenyl)propanediamide
SMILESCc1ccc(Oc2ccccc2)c(NC(=O)CC(N)=O)c1
InChIInChI=1S/C16H16N2O3/c1-11-7-8-14(21-12-5-3-2-4-6-12)13(9-11)18-16(20)10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyPVWZYSANJYYJPW-UHFFFAOYSA-N
XLogP2.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-(5-methyl-2-phenoxyphenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea
CID 110010652
2-(2-methoxy-4-methylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 35079349
N-(2-methoxy-5-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 2108595
N-(5-methyl-2-phenoxyphenyl)formamide
CID 2336214
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
methyl 2-(5-methyl-2-phenoxyphenyl)acetate
CID 158548362
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 7935802
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-2-phenoxyphenyl)propanediamide?
The IUPAC name of N'-(5-methyl-2-phenoxyphenyl)propanediamide (CID 155950996) is N'-(5-methyl-2-phenoxyphenyl)propanediamide.
What is the SMILES notation for N'-(5-methyl-2-phenoxyphenyl)propanediamide?
The canonical SMILES for N'-(5-methyl-2-phenoxyphenyl)propanediamide is Cc1ccc(Oc2ccccc2)c(NC(=O)CC(N)=O)c1.
What is the InChIKey of N'-(5-methyl-2-phenoxyphenyl)propanediamide?
The InChIKey is PVWZYSANJYYJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-7-8-14(21-12-5-3-2-4-6-12)13(9-11)18-16(20)10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N'-(5-methyl-2-phenoxyphenyl)propanediamide?
N'-(5-methyl-2-phenoxyphenyl)propanediamide has a molecular weight of 284.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-2-phenoxyphenyl)propanediamide is sourced from PubChem (CID 155950996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).