[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate

C19H27NO4 — CID 2603569

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C19H27NO4/c1-14(2)24-17-10-8-16(9-11-17)19(22)23-13-18(21)20-12-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyWNALLXPBSRHMET-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.33
Rot. Bonds7

About [2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate

[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate (PubChem CID 2603569) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
PubChem CID2603569
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C19H27NO4/c1-14(2)24-17-10-8-16(9-11-17)19(22)23-13-18(21)20-12-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyWNALLXPBSRHMET-UHFFFAOYSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7373516
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603433
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603418
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-propan-2-yloxybenzoate
CID 2448929
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 43050302
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
[2-(cyclohexylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580285
2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide
CID 4883415
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-fluorobenzoate
CID 8612564
[2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 30534008
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063
[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55936242

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate (CID 2603569) is [2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate is CC(C)Oc1ccc(C(=O)OCC(=O)NCC2CCCCC2)cc1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The InChIKey is WNALLXPBSRHMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-14(2)24-17-10-8-16(9-11-17)19(22)23-13-18(21)20-12-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,20,21).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate has a molecular weight of 333.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate is sourced from PubChem (CID 2603569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).