N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide

C19H23N3O3 — CID 108963733

IUPACN-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)(C)C(=O)NCc1ccncc1
InChIInChI=1S/C19H23N3O3/c1-13-5-6-16(25-4)15(11-13)22-18(24)19(2,3)17(23)21-12-14-7-9-20-10-8-14/h5-11H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyZOPLHOJXSDKSDE-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.68
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide

N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide (PubChem CID 108963733) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
PubChem CID108963733
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)(C)C(=O)NCc1ccncc1
InChIInChI=1S/C19H23N3O3/c1-13-5-6-16(25-4)15(11-13)22-18(24)19(2,3)17(23)21-12-14-7-9-20-10-8-14/h5-11H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyZOPLHOJXSDKSDE-UHFFFAOYSA-N
XLogP2.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963657
1-(5-tert-butyl-2-methoxyphenyl)-3-(pyridin-4-ylmethyl)urea
CID 10380868
N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963048
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
N-(2-methoxy-5-methylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350218
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963576
1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 122146938
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
5-(2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191540

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide (CID 108963733) is N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide is COc1ccc(C)cc1NC(=O)C(C)(C)C(=O)NCc1ccncc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is ZOPLHOJXSDKSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-5-6-16(25-4)15(11-13)22-18(24)19(2,3)17(23)21-12-14-7-9-20-10-8-14/h5-11H,12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 341.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 108963733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).