N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide

C24H27N3O3 — CID 9381716

IUPACN-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide
SMILESCN(C(=O)COc1ccccc1C(=O)NCc1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C24H27N3O3/c1-27(24(18-25)14-8-3-9-15-24)22(28)17-30-21-13-7-6-12-20(21)23(29)26-16-19-10-4-2-5-11-19/h2,4-7,10-13H,3,8-9,14-17H2,1H3,(H,26,29)
InChIKeyIIEBZXHUMQFHQG-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.68
Rot. Bonds7

About N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide

N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide (PubChem CID 9381716) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide
PubChem CID9381716
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide
SMILESCN(C(=O)COc1ccccc1C(=O)NCc1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C24H27N3O3/c1-27(24(18-25)14-8-3-9-15-24)22(28)17-30-21-13-7-6-12-20(21)23(29)26-16-19-10-4-2-5-11-19/h2,4-7,10-13H,3,8-9,14-17H2,1H3,(H,26,29)
InChIKeyIIEBZXHUMQFHQG-UHFFFAOYSA-N
XLogP3.68
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329399
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 7697673
N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide
CID 34092355
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7861010
N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide
CID 32899810
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014349
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850961
N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 51259733
N-benzyl-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7981693
2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 17468407
N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7981594
N-benzyl-2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethoxy]benzamide
CID 40919641

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide (CID 9381716) is N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide is CN(C(=O)COc1ccccc1C(=O)NCc1ccccc1)C1(C#N)CCCCC1.
What is the InChIKey of N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide?
The InChIKey is IIEBZXHUMQFHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-27(24(18-25)14-8-3-9-15-24)22(28)17-30-21-13-7-6-12-20(21)23(29)26-16-19-10-4-2-5-11-19/h2,4-7,10-13H,3,8-9,14-17H2,1H3,(H,26,29).
What are the key properties of N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide?
N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 9381716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).