N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide

C26H32N2O4 — CID 55978627

IUPACN-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1
InChIInChI=1S/C26H32N2O4/c1-3-32-23-15-11-19(12-16-23)24(29)17-18-25(30)27-21-13-9-20(10-14-21)26(31)28(2)22-7-5-4-6-8-22/h9-16,22H,3-8,17-18H2,1-2H3,(H,27,30)
InChIKeyJFNTVDPAEGUZIB-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.09
Rot. Bonds9

About N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide

N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide (PubChem CID 55978627) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
PubChem CID55978627
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1
InChIInChI=1S/C26H32N2O4/c1-3-32-23-15-11-19(12-16-23)24(29)17-18-25(30)27-21-13-9-20(10-14-21)26(31)28(2)22-7-5-4-6-8-22/h9-16,22H,3-8,17-18H2,1-2H3,(H,27,30)
InChIKeyJFNTVDPAEGUZIB-UHFFFAOYSA-N
XLogP5.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-cyclohexyl-N-methyl-4-pentoxybenzamide
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4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide
CID 60549241
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 60516641
4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9441183
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
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N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
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2-[cyclohexyl(methyl)amino]-N-[4-(2-ethoxyethoxy)phenyl]acetamide
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CID 110356036

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide (CID 55978627) is N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1.
What is the InChIKey of N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
The InChIKey is JFNTVDPAEGUZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-3-32-23-15-11-19(12-16-23)24(29)17-18-25(30)27-21-13-9-20(10-14-21)26(31)28(2)22-7-5-4-6-8-22/h9-16,22H,3-8,17-18H2,1-2H3,(H,27,30).
What are the key properties of N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide has a molecular weight of 436.55 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55978627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).