[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate

C18H24ClNO4 — CID 7750592

IUPAC[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccc(Cl)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H24ClNO4/c1-13(18(22)20-11-14-5-3-2-4-6-14)24-17(21)12-23-16-9-7-15(19)8-10-16/h7-10,13-14H,2-6,11-12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyBFUMWULUMFKLKD-ZDUSSCGKSA-N
MW353.85 g/mol
LogP3.35
Rot. Bonds7

About [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate

[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate (PubChem CID 7750592) has the molecular formula C18H24ClNO4 and a molecular weight of 353.85 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
PubChem CID7750592
Molecular FormulaC18H24ClNO4
Molecular Weight353.85 g/mol
Exact Mass353.14
IUPAC Name[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccc(Cl)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H24ClNO4/c1-13(18(22)20-11-14-5-3-2-4-6-14)24-17(21)12-23-16-9-7-15(19)8-10-16/h7-10,13-14H,2-6,11-12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyBFUMWULUMFKLKD-ZDUSSCGKSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598408
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750595
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 55416665
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 7751170
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842569
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 55416666
cyclohexyl 2-(4-chlorophenoxy)acetate
CID 836188
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 7508986
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770110
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(4-formylphenoxy)acetate
CID 2523575

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate (CID 7750592) is [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate is C[C@H](OC(=O)COc1ccc(Cl)cc1)C(=O)NCC1CCCCC1.
What is the InChIKey of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
The InChIKey is BFUMWULUMFKLKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24ClNO4/c1-13(18(22)20-11-14-5-3-2-4-6-14)24-17(21)12-23-16-9-7-15(19)8-10-16/h7-10,13-14H,2-6,11-12H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate has a molecular weight of 353.85 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 7750592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).