2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide

C21H26N2O3 — CID 55840932

IUPAC2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide
SMILESO=C(COC1CCCCC1)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C21H26N2O3/c24-21(16-26-19-6-2-1-3-7-19)23-14-17-8-10-20(11-9-17)25-15-18-5-4-12-22-13-18/h4-5,8-13,19H,1-3,6-7,14-16H2,(H,23,24)
InChIKeyASKRYPNKEBRREF-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.63
Rot. Bonds8

About 2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide

2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide (PubChem CID 55840932) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide
PubChem CID55840932
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide
SMILESO=C(COC1CCCCC1)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C21H26N2O3/c24-21(16-26-19-6-2-1-3-7-19)23-14-17-8-10-20(11-9-17)25-15-18-5-4-12-22-13-18/h4-5,8-13,19H,1-3,6-7,14-16H2,(H,23,24)
InChIKeyASKRYPNKEBRREF-UHFFFAOYSA-N
XLogP3.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 51725557
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 42961707
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55880789
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876209
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
3-[4-(pyridin-3-ylmethoxy)phenyl]propanehydrazide
CID 91686906
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea
CID 166834841
1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46476011
(2R)-1-[(4-fluorophenyl)methyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 95786833

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide (CID 55840932) is 2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide is O=C(COC1CCCCC1)NCc1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide?
The InChIKey is ASKRYPNKEBRREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-21(16-26-19-6-2-1-3-7-19)23-14-17-8-10-20(11-9-17)25-15-18-5-4-12-22-13-18/h4-5,8-13,19H,1-3,6-7,14-16H2,(H,23,24).
What are the key properties of 2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide?
2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 55840932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).