N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide

C18H23N3O3 — CID 119848510

IUPACN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1
InChIInChI=1S/C18H23N3O3/c1-19-9-3-4-18(22)21-15-5-6-16(23-2)17(12-15)24-13-14-7-10-20-11-8-14/h5-8,10-12,19H,3-4,9,13H2,1-2H3,(H,21,22)
InChIKeyCQZDSFSQEDRJOU-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.61
Rot. Bonds9

About N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide (PubChem CID 119848510) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
PubChem CID119848510
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1
InChIInChI=1S/C18H23N3O3/c1-19-9-3-4-18(22)21-15-5-6-16(23-2)17(12-15)24-13-14-7-10-20-11-8-14/h5-8,10-12,19H,3-4,9,13H2,1-2H3,(H,21,22)
InChIKeyCQZDSFSQEDRJOU-UHFFFAOYSA-N
XLogP2.61
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 43068317
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119852198
4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 46427440
N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 38629448
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide
CID 119717551
3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
CID 55682810
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide (CID 119848510) is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide?
The InChIKey is CQZDSFSQEDRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-19-9-3-4-18(22)21-15-5-6-16(23-2)17(12-15)24-13-14-7-10-20-11-8-14/h5-8,10-12,19H,3-4,9,13H2,1-2H3,(H,21,22).
What are the key properties of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide?
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide has a molecular weight of 329.40 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119848510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).