N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide

C25H28N2O5 — CID 70804281

IUPACN-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cccc(-c2cccc(OCCc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C25H28N2O5/c1-29-14-13-24(28)26-20-7-4-6-19(17-20)21-8-5-9-25(27-21)32-15-12-18-10-11-22(30-2)23(16-18)31-3/h4-11,16-17H,12-15H2,1-3H3,(H,26,28)
InChIKeyPESGRCHDOMKFNG-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.36
Rot. Bonds11

About N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide (PubChem CID 70804281) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide
PubChem CID70804281
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC NameN-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cccc(-c2cccc(OCCc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C25H28N2O5/c1-29-14-13-24(28)26-20-7-4-6-19(17-20)21-8-5-9-25(27-21)32-15-12-18-10-11-22(30-2)23(16-18)31-3/h4-11,16-17H,12-15H2,1-3H3,(H,26,28)
InChIKeyPESGRCHDOMKFNG-UHFFFAOYSA-N
XLogP4.36
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]butanediamide
CID 58103273
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-(dimethylamino)butanamide
CID 70804283
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(dimethylamino)acetamide
CID 70804308
3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide
CID 58103239
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 70804376
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide
CID 70804278
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide
CID 58103354
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 70804284
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-ethylbenzamide
CID 58103445
1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 66872460
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide
CID 70804339
N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide
CID 58103339

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide?
The IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide (CID 70804281) is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide.
What is the SMILES notation for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide?
The canonical SMILES for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide is COCCC(=O)Nc1cccc(-c2cccc(OCCc3ccc(OC)c(OC)c3)n2)c1.
What is the InChIKey of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide?
The InChIKey is PESGRCHDOMKFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-29-14-13-24(28)26-20-7-4-6-19(17-20)21-8-5-9-25(27-21)32-15-12-18-10-11-22(30-2)23(16-18)31-3/h4-11,16-17H,12-15H2,1-3H3,(H,26,28).
What are the key properties of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide?
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide has a molecular weight of 436.51 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide is sourced from PubChem (CID 70804281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).