2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

C17H25N3O2 — CID 86930985

IUPAC2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NCC(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-20(2)17(22)14-10-6-7-11-15(14)18-12-16(21)19-13-8-4-3-5-9-13/h6-7,10-11,13,18H,3-5,8-9,12H2,1-2H3,(H,19,21)
InChIKeyVWWKSTHEQQNSFJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.25
Rot. Bonds5

About 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 86930985) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID86930985
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NCC(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-20(2)17(22)14-10-6-7-11-15(14)18-12-16(21)19-13-8-4-3-5-9-13/h6-7,10-11,13,18H,3-5,8-9,12H2,1-2H3,(H,19,21)
InChIKeyVWWKSTHEQQNSFJ-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
CID 86911442
N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide
CID 112822832
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9329082
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide
CID 71882424
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41084647
2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide
CID 34067869
2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 16606580
2-(2-acetylanilino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75373937
N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide
CID 55898377

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 86930985) is 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1NCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is VWWKSTHEQQNSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-20(2)17(22)14-10-6-7-11-15(14)18-12-16(21)19-13-8-4-3-5-9-13/h6-7,10-11,13,18H,3-5,8-9,12H2,1-2H3,(H,19,21).
What are the key properties of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 86930985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).