N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide

C28H31N3O3 — CID 54830968

IUPACN-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide
SMILESO=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C28H31N3O3/c32-27(31-25-16-7-8-17-26(25)34-20-21-10-3-1-4-11-21)19-29-24-15-9-12-22(18-24)28(33)30-23-13-5-2-6-14-23/h1,3-4,7-12,15-18,23,29H,2,5-6,13-14,19-20H2,(H,30,33)(H,31,32)
InChIKeyAZERPXUTKXOXJB-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.38
Rot. Bonds9

About N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide

N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide (PubChem CID 54830968) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide
PubChem CID54830968
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide
SMILESO=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C28H31N3O3/c32-27(31-25-16-7-8-17-26(25)34-20-21-10-3-1-4-11-21)19-29-24-15-9-12-22(18-24)28(33)30-23-13-5-2-6-14-23/h1,3-4,7-12,15-18,23,29H,2,5-6,13-14,19-20H2,(H,30,33)(H,31,32)
InChIKeyAZERPXUTKXOXJB-UHFFFAOYSA-N
XLogP5.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831126
N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54822029
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54830996
N-(2-phenylmethoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843435
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54827792
2-(3-acetamidoanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54831747
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831343
N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822775
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide (CID 54830968) is N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide is O=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide?
The InChIKey is AZERPXUTKXOXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c32-27(31-25-16-7-8-17-26(25)34-20-21-10-3-1-4-11-21)19-29-24-15-9-12-22(18-24)28(33)30-23-13-5-2-6-14-23/h1,3-4,7-12,15-18,23,29H,2,5-6,13-14,19-20H2,(H,30,33)(H,31,32).
What are the key properties of N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide?
N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide has a molecular weight of 457.57 g/mol, XLogP of 5.38, 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-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54830968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).