N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide

C18H21N3O3 — CID 108963576

IUPACN-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
SMILESCOc1ccccc1NC(=O)C(C)(C)C(=O)NCc1cccnc1
InChIInChI=1S/C18H21N3O3/c1-18(2,16(22)20-12-13-7-6-10-19-11-13)17(23)21-14-8-4-5-9-15(14)24-3/h4-11H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyOUXQJIOLBJFMKI-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.37
Rot. Bonds6

About N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide

N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide (PubChem CID 108963576) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
PubChem CID108963576
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
SMILESCOc1ccccc1NC(=O)C(C)(C)C(=O)NCc1cccnc1
InChIInChI=1S/C18H21N3O3/c1-18(2,16(22)20-12-13-7-6-10-19-11-13)17(23)21-14-8-4-5-9-15(14)24-3/h4-11H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyOUXQJIOLBJFMKI-UHFFFAOYSA-N
XLogP2.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.37
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

ethyl 2-[[2,2-dimethyl-3-oxo-3-(pyridin-3-ylmethylamino)propanoyl]amino]benzoate
CID 108963634
N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963572
N-(2,4-difluorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963619
N-(2-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191392
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963626
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963612
N-(3,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963625
N-butyl-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108957797
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963733
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966294
2-methyl-2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 30307775

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
The IUPAC name of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide (CID 108963576) is N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
The canonical SMILES for N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide is COc1ccccc1NC(=O)C(C)(C)C(=O)NCc1cccnc1.
What is the InChIKey of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
The InChIKey is OUXQJIOLBJFMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-18(2,16(22)20-12-13-7-6-10-19-11-13)17(23)21-14-8-4-5-9-15(14)24-3/h4-11H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide has a molecular weight of 327.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide is sourced from PubChem (CID 108963576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).