3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide

C18H23N3O2 — CID 119503562

IUPAC3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCNCCNC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1
InChIInChI=1S/C18H23N3O2/c1-13-9-16(18(22)21-8-7-19-3)10-14(2)17(13)23-12-15-5-4-6-20-11-15/h4-6,9-11,19H,7-8,12H2,1-3H3,(H,21,22)
InChIKeyQFPODTJUPJUOSA-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.23
Rot. Bonds7

About 3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide

3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 119503562) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID119503562
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCNCCNC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1
InChIInChI=1S/C18H23N3O2/c1-13-9-16(18(22)21-8-7-19-3)10-14(2)17(13)23-12-15-5-4-6-20-11-15/h4-6,9-11,19H,7-8,12H2,1-3H3,(H,21,22)
InChIKeyQFPODTJUPJUOSA-UHFFFAOYSA-N
XLogP2.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-[3-[4-(dimethylamino)phenyl]propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46453709
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690776
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56544237
N-[3-(furan-2-ylmethoxy)propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55853611
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119537303
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668
N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119608365

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 119503562) is 3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide is CNCCNC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is QFPODTJUPJUOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-9-16(18(22)21-8-7-19-3)10-14(2)17(13)23-12-15-5-4-6-20-11-15/h4-6,9-11,19H,7-8,12H2,1-3H3,(H,21,22).
What are the key properties of 3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 119503562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).