N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide

C24H29N3O3 — CID 17191566

IUPACN-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide
SMILESCc1cccc(C(=O)NCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H29N3O3/c1-17-8-7-9-18(16-17)23(29)25-15-14-22(28)27-21-13-6-5-12-20(21)24(30)26-19-10-3-2-4-11-19/h5-9,12-13,16,19H,2-4,10-11,14-15H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyXZJJXQAOTRGGTK-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.82
Rot. Bonds7

About N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide

N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide (PubChem CID 17191566) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide
PubChem CID17191566
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide
SMILESCc1cccc(C(=O)NCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H29N3O3/c1-17-8-7-9-18(16-17)23(29)25-15-14-22(28)27-21-13-6-5-12-20(21)24(30)26-19-10-3-2-4-11-19/h5-9,12-13,16,19H,2-4,10-11,14-15H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyXZJJXQAOTRGGTK-UHFFFAOYSA-N
XLogP3.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364162
2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide
CID 119386927
N-cyclooctyl-3-methylbenzamide
CID 966011
N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30670029
N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
CID 17191539
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174
N-cyclopentyl-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34734655
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 1226844

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide?
The IUPAC name of N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide (CID 17191566) is N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide is Cc1cccc(C(=O)NCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide?
The InChIKey is XZJJXQAOTRGGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17-8-7-9-18(16-17)23(29)25-15-14-22(28)27-21-13-6-5-12-20(21)24(30)26-19-10-3-2-4-11-19/h5-9,12-13,16,19H,2-4,10-11,14-15H2,1H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide?
N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide has a molecular weight of 407.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide is sourced from PubChem (CID 17191566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).