3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide

C16H23N3O2 — CID 54816300

IUPAC3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNC2CCCCC2)c1
InChIInChI=1S/C16H23N3O2/c1-17-16(21)12-6-5-9-14(10-12)19-15(20)11-18-13-7-3-2-4-8-13/h5-6,9-10,13,18H,2-4,7-8,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyOPOQHFDAAAPXKV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds5

About 3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide

3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide (PubChem CID 54816300) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
PubChem CID54816300
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNC2CCCCC2)c1
InChIInChI=1S/C16H23N3O2/c1-17-16(21)12-6-5-9-14(10-12)19-15(20)11-18-13-7-3-2-4-8-13/h5-6,9-10,13,18H,2-4,7-8,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyOPOQHFDAAAPXKV-UHFFFAOYSA-N
XLogP1.91
TPSA70.23 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 ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
CID 54816609
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399
N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
CID 54816415
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54816361
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
2-(cyclopentylamino)-N-[3-(methoxymethyl)phenyl]acetamide
CID 60847107

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide (CID 54816300) is 3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CNC2CCCCC2)c1.
What is the InChIKey of 3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide?
The InChIKey is OPOQHFDAAAPXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-16(21)12-6-5-9-14(10-12)19-15(20)11-18-13-7-3-2-4-8-13/h5-6,9-10,13,18H,2-4,7-8,11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide?
3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54816300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).