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

C22H25NO3 — CID 7854658

IUPACcyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC1CCCCC1
InChIInChI=1S/C22H25NO3/c24-21(26-16-17-7-3-1-4-8-17)15-23-22(25)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h2,5-6,9-14,17H,1,3-4,7-8,15-16H2,(H,23,25)
InChIKeyLJXROPNXKVKANB-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.21
Rot. Bonds6

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

cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 7854658) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Namecyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID7854658
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Namecyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC1CCCCC1
InChIInChI=1S/C22H25NO3/c24-21(26-16-17-7-3-1-4-8-17)15-23-22(25)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h2,5-6,9-14,17H,1,3-4,7-8,15-16H2,(H,23,25)
InChIKeyLJXROPNXKVKANB-UHFFFAOYSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 8921487
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854688
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492409
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
(4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 2401956
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 32970914
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921441
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
[2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate
CID 3593681
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 2-benzamidoacetate
CID 11898479

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate (CID 7854658) is cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is LJXROPNXKVKANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21(26-16-17-7-3-1-4-8-17)15-23-22(25)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h2,5-6,9-14,17H,1,3-4,7-8,15-16H2,(H,23,25).
What are the key properties of cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate?
cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 351.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 7854658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).