N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide

C17H20N2O3 — CID 38934198

IUPACN-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(OCc2cccnc2)c(OC)c1
InChIInChI=1S/C17H20N2O3/c1-3-17(20)19-11-13-6-7-15(16(9-13)21-2)22-12-14-5-4-8-18-10-14/h4-10H,3,11-12H2,1-2H3,(H,19,20)
InChIKeyNWDHZVWKUMULAF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.70
Rot. Bonds7

About N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide

N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide (PubChem CID 38934198) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
PubChem CID38934198
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(OCc2cccnc2)c(OC)c1
InChIInChI=1S/C17H20N2O3/c1-3-17(20)19-11-13-6-7-15(16(9-13)21-2)22-12-14-5-4-8-18-10-14/h4-10H,3,11-12H2,1-2H3,(H,19,20)
InChIKeyNWDHZVWKUMULAF-UHFFFAOYSA-N
XLogP2.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
(2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 94866694
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 38934279
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 166405501
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
The IUPAC name of N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide (CID 38934198) is N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
The canonical SMILES for N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide is CCC(=O)NCc1ccc(OCc2cccnc2)c(OC)c1.
What is the InChIKey of N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
The InChIKey is NWDHZVWKUMULAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-17(20)19-11-13-6-7-15(16(9-13)21-2)22-12-14-5-4-8-18-10-14/h4-10H,3,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide has a molecular weight of 300.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 38934198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).