N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide

C28H32N2O3 — CID 135187221

IUPACN-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCC3CCCCC3)c2)cc1
InChIInChI=1S/C28H32N2O3/c1-32-26-12-10-25(11-13-26)28(31)30(19-22-14-16-29-17-15-22)20-24-8-5-9-27(18-24)33-21-23-6-3-2-4-7-23/h5,8-18,23H,2-4,6-7,19-21H2,1H3
InChIKeyVXGLUTQMWCVAHK-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.89
Rot. Bonds9

About N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide

N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 135187221) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID135187221
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCC3CCCCC3)c2)cc1
InChIInChI=1S/C28H32N2O3/c1-32-26-12-10-25(11-13-26)28(31)30(19-22-14-16-29-17-15-22)20-24-8-5-9-27(18-24)33-21-23-6-3-2-4-7-23/h5,8-18,23H,2-4,6-7,19-21H2,1H3
InChIKeyVXGLUTQMWCVAHK-UHFFFAOYSA-N
XLogP5.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2352168
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CID 9811357
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CID 10185372
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CID 11752638
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CID 17759121
CID 17759121
CID 23396290
CID 23396290
CID 23396291
CID 23396291
CID 23396292
CID 23396292
CID 121363591
CID 121363591
CID 122707126
CID 122707126
CID 51003130
CID 51003130
CID 86764444
CID 86764444

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide (CID 135187221) is N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCC3CCCCC3)c2)cc1.
What is the InChIKey of N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is VXGLUTQMWCVAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-32-26-12-10-25(11-13-26)28(31)30(19-22-14-16-29-17-15-22)20-24-8-5-9-27(18-24)33-21-23-6-3-2-4-7-23/h5,8-18,23H,2-4,6-7,19-21H2,1H3.
What are the key properties of N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 444.58 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 135187221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).