2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide

C25H28N2O3 — CID 130234378

IUPAC2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCCCCC(C)OC(Oc1ccccc1C(=O)Nc1cccnc1)c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-3-4-11-19(2)29-25(20-12-6-5-7-13-20)30-23-16-9-8-15-22(23)24(28)27-21-14-10-17-26-18-21/h5-10,12-19,25H,3-4,11H2,1-2H3,(H,27,28)
InChIKeyYDTBZBADLYZQIV-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.01
Rot. Bonds10

About 2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide

2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 130234378) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID130234378
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCCCCC(C)OC(Oc1ccccc1C(=O)Nc1cccnc1)c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-3-4-11-19(2)29-25(20-12-6-5-7-13-20)30-23-16-9-8-15-22(23)24(28)27-21-14-10-17-26-18-21/h5-10,12-19,25H,3-4,11H2,1-2H3,(H,27,28)
InChIKeyYDTBZBADLYZQIV-UHFFFAOYSA-N
XLogP6.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911692
2-(pentanoylamino)-N-pyridin-3-ylbenzamide
CID 30336770
N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide
CID 17045605
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911654
2-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096796
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
2-phenoxy-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 9468013
2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911656
N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide
CID 159770872
N-(1-phenylpropyl)-2-propan-2-yloxybenzamide
CID 43911562

Frequently Asked Questions

What is the IUPAC name of 2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide (CID 130234378) is 2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide is CCCCC(C)OC(Oc1ccccc1C(=O)Nc1cccnc1)c1ccccc1.
What is the InChIKey of 2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is YDTBZBADLYZQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-3-4-11-19(2)29-25(20-12-6-5-7-13-20)30-23-16-9-8-15-22(23)24(28)27-21-14-10-17-26-18-21/h5-10,12-19,25H,3-4,11H2,1-2H3,(H,27,28).
What are the key properties of 2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide?
2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 6.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 130234378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).