3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide

C16H23N3O2 — CID 103600833

IUPAC3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23N3O2/c1-11(16(21)19-13-7-3-2-4-8-13)18-14-9-5-6-12(10-14)15(17)20/h5-6,9-11,13,18H,2-4,7-8H2,1H3,(H2,17,20)(H,19,21)
InChIKeyMUIRZOPAJDKEAU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.03
Rot. Bonds5

About 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide

3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide (PubChem CID 103600833) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
PubChem CID103600833
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23N3O2/c1-11(16(21)19-13-7-3-2-4-8-13)18-14-9-5-6-12(10-14)15(17)20/h5-6,9-11,13,18H,2-4,7-8H2,1H3,(H2,17,20)(H,19,21)
InChIKeyMUIRZOPAJDKEAU-UHFFFAOYSA-N
XLogP2.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43083427
(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide
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2-(3-acetamidoanilino)-N-cyclopentylpropanamide
CID 43083456
N-cyclohexyl-2-(3-ethynylanilino)propanamide
CID 43114037
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
N-cyclopropyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]benzamide
CID 9361250
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide
CID 71878718
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
CID 18086394

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide?
The IUPAC name of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide (CID 103600833) is 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide?
The canonical SMILES for 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide is CC(Nc1cccc(C(N)=O)c1)C(=O)NC1CCCCC1.
What is the InChIKey of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide?
The InChIKey is MUIRZOPAJDKEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(16(21)19-13-7-3-2-4-8-13)18-14-9-5-6-12(10-14)15(17)20/h5-6,9-11,13,18H,2-4,7-8H2,1H3,(H2,17,20)(H,19,21).
What are the key properties of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide?
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide has a molecular weight of 289.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide is sourced from PubChem (CID 103600833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).