4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide

C18H22N2O3 — CID 110410541

IUPAC4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
SMILESCOc1ccc(CCCC(=O)NCc2ccccn2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-22-16-10-9-14(12-17(16)23-2)6-5-8-18(21)20-13-15-7-3-4-11-19-15/h3-4,7,9-12H,5-6,8,13H2,1-2H3,(H,20,21)
InChIKeyPAQKHUWAFAEIMT-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.74
Rot. Bonds8

About 4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide

4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 110410541) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
PubChem CID110410541
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
SMILESCOc1ccc(CCCC(=O)NCc2ccccn2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-22-16-10-9-14(12-17(16)23-2)6-5-8-18(21)20-13-15-7-3-4-11-19-15/h3-4,7,9-12H,5-6,8,13H2,1-2H3,(H,20,21)
InChIKeyPAQKHUWAFAEIMT-UHFFFAOYSA-N
XLogP2.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963351
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136877
1-[3-(3,4-dimethoxyphenyl)propyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968525
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
2-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 124862585
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 110209763
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307040
3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 94759139
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
2-(2,4-dimethoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110769817

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide (CID 110410541) is 4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide is COc1ccc(CCCC(=O)NCc2ccccn2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is PAQKHUWAFAEIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-16-10-9-14(12-17(16)23-2)6-5-8-18(21)20-13-15-7-3-4-11-19-15/h3-4,7,9-12H,5-6,8,13H2,1-2H3,(H,20,21).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 314.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 110410541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).