N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide

C26H34N4O3 — CID 54831069

IUPACN-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C26H34N4O3/c1-30(2)25(32)15-14-19-8-6-13-23(16-19)28-24(31)18-27-22-12-7-9-20(17-22)26(33)29-21-10-4-3-5-11-21/h6-9,12-13,16-17,21,27H,3-5,10-11,14-15,18H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyXLSDXWKCCRMOBE-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.82
Rot. Bonds9

About N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide

N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54831069) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
PubChem CID54831069
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C26H34N4O3/c1-30(2)25(32)15-14-19-8-6-13-23(16-19)28-24(31)18-27-22-12-7-9-20(17-22)26(33)29-21-10-4-3-5-11-21/h6-9,12-13,16-17,21,27H,3-5,10-11,14-15,18H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyXLSDXWKCCRMOBE-UHFFFAOYSA-N
XLogP3.82
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841395
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160
2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832945
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833387
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide (CID 54831069) is N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide is CN(C)C(=O)CCc1cccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is XLSDXWKCCRMOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-30(2)25(32)15-14-19-8-6-13-23(16-19)28-24(31)18-27-22-12-7-9-20(17-22)26(33)29-21-10-4-3-5-11-21/h6-9,12-13,16-17,21,27H,3-5,10-11,14-15,18H2,1-2H3,(H,28,31)(H,29,33).
What are the key properties of N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide?
N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 450.58 g/mol, XLogP of 3.82, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54831069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).