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

C17H21N3O4 — CID 47014344

IUPAC2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C17H21N3O4/c1-23-12-5-6-13(16(19)22)14(9-12)24-10-15(21)20-17(11-18)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyYJYJENGESWBKRD-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.52
Rot. Bonds6

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

2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide (PubChem CID 47014344) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
PubChem CID47014344
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C17H21N3O4/c1-23-12-5-6-13(16(19)22)14(9-12)24-10-15(21)20-17(11-18)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyYJYJENGESWBKRD-UHFFFAOYSA-N
XLogP1.52
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014349
N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
CID 60704649
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147332
N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026920
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid
CID 45394212
2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide
CID 7434176
N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 4782860
N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174585
methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-5-methoxybenzoate
CID 47077797
N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 60717143
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 7434282
2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide
CID 60967528

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide?
The IUPAC name of 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide (CID 47014344) is 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCC(=O)NC2(C#N)CCCCC2)c1.
What is the InChIKey of 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide?
The InChIKey is YJYJENGESWBKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-23-12-5-6-13(16(19)22)14(9-12)24-10-15(21)20-17(11-18)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide?
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide has a molecular weight of 331.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide is sourced from PubChem (CID 47014344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).