N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C24H29N3O3 — CID 4183323

IUPACN-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(C(=O)c2ccccc2)C2CCCCC2)c1
InChIInChI=1S/C24H29N3O3/c1-18-9-8-12-20(15-18)26-22(28)16-25-23(29)17-27(21-13-6-3-7-14-21)24(30)19-10-4-2-5-11-19/h2,4-5,8-12,15,21H,3,6-7,13-14,16-17H2,1H3,(H,25,29)(H,26,28)
InChIKeyZDRUIGFJQLNYNE-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.52
Rot. Bonds7

About N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 4183323) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID4183323
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(C(=O)c2ccccc2)C2CCCCC2)c1
InChIInChI=1S/C24H29N3O3/c1-18-9-8-12-20(15-18)26-22(28)16-25-23(29)17-27(21-13-6-3-7-14-21)24(30)19-10-4-2-5-11-19/h2,4-5,8-12,15,21H,3,6-7,13-14,16-17H2,1H3,(H,25,29)(H,26,28)
InChIKeyZDRUIGFJQLNYNE-UHFFFAOYSA-N
XLogP3.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 4276041
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3895128
2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide
CID 3254765
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
4-chloro-N-cyclopropyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 4303769
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 3895120
2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide
CID 113159568
N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 3895122
N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3686733
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 4183323) is N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is Cc1cccc(NC(=O)CNC(=O)CN(C(=O)c2ccccc2)C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is ZDRUIGFJQLNYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18-9-8-12-20(15-18)26-22(28)16-25-23(29)17-27(21-13-6-3-7-14-21)24(30)19-10-4-2-5-11-19/h2,4-5,8-12,15,21H,3,6-7,13-14,16-17H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 407.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4183323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).