2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide

C18H23N3O4 — CID 47014349

IUPAC2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)N(C)C2(C#N)CCCCC2)c1
InChIInChI=1S/C18H23N3O4/c1-21(18(12-19)8-4-3-5-9-18)16(22)11-25-15-10-13(24-2)6-7-14(15)17(20)23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,20,23)
InChIKeyHRCWAOTUGLBOOT-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.86
Rot. Bonds6

About 2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide

2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide (PubChem CID 47014349) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide
PubChem CID47014349
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)N(C)C2(C#N)CCCCC2)c1
InChIInChI=1S/C18H23N3O4/c1-21(18(12-19)8-4-3-5-9-18)16(22)11-25-15-10-13(24-2)6-7-14(15)17(20)23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,20,23)
InChIKeyHRCWAOTUGLBOOT-UHFFFAOYSA-N
XLogP1.86
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014344
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861580
N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 51259733
N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide
CID 51173400
2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 17468407
N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 17468405
N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide
CID 9381716
4-methoxy-2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethoxy]benzamide
CID 18143075
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253937
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-ethylbenzoate
CID 7364838
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329399
2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014355

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide?
The IUPAC name of 2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide (CID 47014349) is 2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCC(=O)N(C)C2(C#N)CCCCC2)c1.
What is the InChIKey of 2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide?
The InChIKey is HRCWAOTUGLBOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-21(18(12-19)8-4-3-5-9-18)16(22)11-25-15-10-13(24-2)6-7-14(15)17(20)23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,20,23).
What are the key properties of 2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide?
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide has a molecular weight of 345.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide is sourced from PubChem (CID 47014349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).