N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide

C26H34N4O3 — CID 54843817

IUPACN-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C26H34N4O3/c1-2-3-16-27-25(32)20-8-7-11-23(17-20)29-24(31)18-28-21-14-12-19(13-15-21)26(33)30-22-9-5-4-6-10-22/h7-8,11-15,17,22,28H,2-6,9-10,16,18H2,1H3,(H,27,32)(H,29,31)(H,30,33)
InChIKeyMRZSEWYRXPZPAH-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.33
Rot. Bonds10

About N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide

N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54843817) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54843817
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C26H34N4O3/c1-2-3-16-27-25(32)20-8-7-11-23(17-20)29-24(31)18-28-21-14-12-19(13-15-21)26(33)30-22-9-5-4-6-10-22/h7-8,11-15,17,22,28H,2-6,9-10,16,18H2,1H3,(H,27,32)(H,29,31)(H,30,33)
InChIKeyMRZSEWYRXPZPAH-UHFFFAOYSA-N
XLogP4.33
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54844067
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
N-butyl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840640
N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54832046
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54843817) is N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is MRZSEWYRXPZPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-2-3-16-27-25(32)20-8-7-11-23(17-20)29-24(31)18-28-21-14-12-19(13-15-21)26(33)30-22-9-5-4-6-10-22/h7-8,11-15,17,22,28H,2-6,9-10,16,18H2,1H3,(H,27,32)(H,29,31)(H,30,33).
What are the key properties of N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide?
N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 450.58 g/mol, XLogP of 4.33, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54843817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).