N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide

C18H22N2O2 — CID 110360592

IUPACN-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCOc1ccc(N(Cc2cccnc2)C(=O)CC(C)C)cc1
InChIInChI=1S/C18H22N2O2/c1-14(2)11-18(21)20(13-15-5-4-10-19-12-15)16-6-8-17(22-3)9-7-16/h4-10,12,14H,11,13H2,1-3H3
InChIKeyLRBCOLBVVMGXBM-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.67
Rot. Bonds6

About N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide

N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 110360592) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID110360592
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCOc1ccc(N(Cc2cccnc2)C(=O)CC(C)C)cc1
InChIInChI=1S/C18H22N2O2/c1-14(2)11-18(21)20(13-15-5-4-10-19-12-15)16-6-8-17(22-3)9-7-16/h4-10,12,14H,11,13H2,1-3H3
InChIKeyLRBCOLBVVMGXBM-UHFFFAOYSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110360643
N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110360634
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
N-(4-methoxyphenyl)-4-(morpholin-4-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46957652
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360509
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110619957
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771920

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 110360592) is N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide is COc1ccc(N(Cc2cccnc2)C(=O)CC(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is LRBCOLBVVMGXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(2)11-18(21)20(13-15-5-4-10-19-12-15)16-6-8-17(22-3)9-7-16/h4-10,12,14H,11,13H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 298.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 110360592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).