N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide

C28H31N3O3 — CID 54822029

IUPACN-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C28H31N3O3/c32-27(19-29-23-14-16-26(17-15-23)34-20-21-8-3-1-4-9-21)30-25-13-7-10-22(18-25)28(33)31-24-11-5-2-6-12-24/h1,3-4,7-10,13-18,24,29H,2,5-6,11-12,19-20H2,(H,30,32)(H,31,33)
InChIKeyHMODINNNYXYXKP-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.38
Rot. Bonds9

About N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide

N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide (PubChem CID 54822029) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
PubChem CID54822029
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C28H31N3O3/c32-27(19-29-23-14-16-26(17-15-23)34-20-21-8-3-1-4-9-21)30-25-13-7-10-22(18-25)28(33)31-24-11-5-2-6-12-24/h1,3-4,7-10,13-18,24,29H,2,5-6,11-12,19-20H2,(H,30,32)(H,31,33)
InChIKeyHMODINNNYXYXKP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822775
N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54830968
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N-(oxolan-2-ylmethyl)-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54821908
3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54844067
N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846290
N-cyclohexyl-4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54825662
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54836976
3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide
CID 54840284
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide (CID 54822029) is N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide is O=C(CNc1ccc(OCc2ccccc2)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide?
The InChIKey is HMODINNNYXYXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c32-27(19-29-23-14-16-26(17-15-23)34-20-21-8-3-1-4-9-21)30-25-13-7-10-22(18-25)28(33)31-24-11-5-2-6-12-24/h1,3-4,7-10,13-18,24,29H,2,5-6,11-12,19-20H2,(H,30,32)(H,31,33).
What are the key properties of N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide?
N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]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-(4-phenylmethoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54822029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).