N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide

C18H22N2O3 — CID 42958626

IUPACN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1
InChIInChI=1S/C18H22N2O3/c1-4-13(2)18(21)20-15-7-8-16(22-3)17(10-15)23-12-14-6-5-9-19-11-14/h5-11,13H,4,12H2,1-3H3,(H,20,21)
InChIKeyOUSMHXDHUARPMT-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.65
Rot. Bonds7

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide (PubChem CID 42958626) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
PubChem CID42958626
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1
InChIInChI=1S/C18H22N2O3/c1-4-13(2)18(21)20-15-7-8-16(22-3)17(10-15)23-12-14-6-5-9-19-11-14/h5-11,13H,4,12H2,1-3H3,(H,20,21)
InChIKeyOUSMHXDHUARPMT-UHFFFAOYSA-N
XLogP3.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(phenylcarbamoylamino)propanamide
CID 55683457
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 120595348
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
(2R)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 38625488
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43069771
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylbutanamide
CID 43068285
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38627115
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46445950
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
CID 55645199

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide (CID 42958626) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide?
The InChIKey is OUSMHXDHUARPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-13(2)18(21)20-15-7-8-16(22-3)17(10-15)23-12-14-6-5-9-19-11-14/h5-11,13H,4,12H2,1-3H3,(H,20,21).
What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide?
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide has a molecular weight of 314.38 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide is sourced from PubChem (CID 42958626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).