2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide

C25H26N2O3 — CID 86970699

IUPAC2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1OC1CCC1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C25H26N2O3/c1-18(19-8-6-12-22(16-19)29-17-20-9-4-5-15-26-20)27-25(28)23-13-2-3-14-24(23)30-21-10-7-11-21/h2-6,8-9,12-16,18,21H,7,10-11,17H2,1H3,(H,27,28)
InChIKeyLPBDWMHQRQHUIE-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.08
Rot. Bonds8

About 2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide

2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 86970699) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID86970699
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1OC1CCC1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C25H26N2O3/c1-18(19-8-6-12-22(16-19)29-17-20-9-4-5-15-26-20)27-25(28)23-13-2-3-14-24(23)30-21-10-7-11-21/h2-6,8-9,12-16,18,21H,7,10-11,17H2,1H3,(H,27,28)
InChIKeyLPBDWMHQRQHUIE-UHFFFAOYSA-N
XLogP5.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549388
2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide
CID 55901739
2-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549389
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 55901872
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119852182
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 55902883
4-methoxy-3-nitro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55902885

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (CID 86970699) is 2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is CC(NC(=O)c1ccccc1OC1CCC1)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is LPBDWMHQRQHUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18(19-8-6-12-22(16-19)29-17-20-9-4-5-15-26-20)27-25(28)23-13-2-3-14-24(23)30-21-10-7-11-21/h2-6,8-9,12-16,18,21H,7,10-11,17H2,1H3,(H,27,28).
What are the key properties of 2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 86970699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).