cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate

C21H24N2O3 — CID 69349060

IUPACcyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate
SMILESNc1cc(-c2ccccc2)ccc1C(=O)NCC(=O)OC1CCCCC1
InChIInChI=1S/C21H24N2O3/c22-19-13-16(15-7-3-1-4-8-15)11-12-18(19)21(25)23-14-20(24)26-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14,22H2,(H,23,25)
InChIKeyWBLCRPOEVOKCNU-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.54
Rot. Bonds5

About cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate

cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate (PubChem CID 69349060) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate
PubChem CID69349060
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namecyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate
SMILESNc1cc(-c2ccccc2)ccc1C(=O)NCC(=O)OC1CCCCC1
InChIInChI=1S/C21H24N2O3/c22-19-13-16(15-7-3-1-4-8-15)11-12-18(19)21(25)23-14-20(24)26-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14,22H2,(H,23,25)
InChIKeyWBLCRPOEVOKCNU-UHFFFAOYSA-N
XLogP3.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
CID 69349520
cyclohexyl 2-[[2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carbonyl]amino]acetate
CID 69452843
cycloheptyl 2-anilinoacetate
CID 61303915
cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate
CID 7854658
cyclohexyl 2-[(4-chloro-2-nitrobenzoyl)amino]acetate
CID 69349258
cyclohexyl 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetate
CID 91141656
methyl 2-amino-4-phenylbenzoate
CID 53412316
(2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate
CID 174942963
N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110625209
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
cyclohexyl 2-(benzenesulfonamido)acetate
CID 4983511
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854688

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate?
The IUPAC name of cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate (CID 69349060) is cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate?
The canonical SMILES for cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate is Nc1cc(-c2ccccc2)ccc1C(=O)NCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate?
The InChIKey is WBLCRPOEVOKCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c22-19-13-16(15-7-3-1-4-8-15)11-12-18(19)21(25)23-14-20(24)26-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14,22H2,(H,23,25).
What are the key properties of cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate?
cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate has a molecular weight of 352.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 69349060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).