N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C26H34N4O3 — CID 54843789

IUPACN-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C26H34N4O3/c1-3-30(4-2)26(33)20-12-16-23(17-13-20)28-24(31)18-27-21-14-10-19(11-15-21)25(32)29-22-8-6-5-7-9-22/h10-17,22,27H,3-9,18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyMJMACPFUJMKFEI-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.28
Rot. Bonds9

About N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54843789) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54843789
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C26H34N4O3/c1-3-30(4-2)26(33)20-12-16-23(17-13-20)28-24(31)18-27-21-14-10-19(11-15-21)25(32)29-22-8-6-5-7-9-22/h10-17,22,27H,3-9,18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyMJMACPFUJMKFEI-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820151
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide
CID 54813756
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54846165
N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834336
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54843789) is N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is MJMACPFUJMKFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-3-30(4-2)26(33)20-12-16-23(17-13-20)28-24(31)18-27-21-14-10-19(11-15-21)25(32)29-22-8-6-5-7-9-22/h10-17,22,27H,3-9,18H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 450.58 g/mol, XLogP of 4.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54843789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).