3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide

C18H18N2O2 — CID 41485539

IUPAC3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-9-17(22-2)16(11-13)20-18(21)10-8-14-4-6-15(12-19)7-5-14/h3-7,9,11H,8,10H2,1-2H3,(H,20,21)
InChIKeyFDQNIQOQOWMFAF-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.45
Rot. Bonds5

About 3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide

3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 41485539) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID41485539
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-9-17(22-2)16(11-13)20-18(21)10-8-14-4-6-15(12-19)7-5-14/h3-7,9,11H,8,10H2,1-2H3,(H,20,21)
InChIKeyFDQNIQOQOWMFAF-UHFFFAOYSA-N
XLogP3.45
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 41486884
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507789
N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191443
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-(2-methoxy-5-methylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390666
(4-cyano-2-methoxyphenyl) 3-(4-methylphenyl)propanoate
CID 51277764
N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28867446
(5-cyano-2-methoxyphenyl)carbamic acid
CID 91205767
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide (CID 41485539) is 3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)CCc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is FDQNIQOQOWMFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-3-9-17(22-2)16(11-13)20-18(21)10-8-14-4-6-15(12-19)7-5-14/h3-7,9,11H,8,10H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide?
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 41485539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).