[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate

C23H27NO4 — CID 7859663

IUPAC[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate
SMILESC[C@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C23H27NO4/c1-17(22(25)24(2)19-9-5-3-6-10-19)27-23(26)18-13-15-21(16-14-18)28-20-11-7-4-8-12-20/h4,7-8,11-17,19H,3,5-6,9-10H2,1-2H3/t17-/m0/s1
InChIKeyZWWWMJUZCOZTBY-KRWDZBQOSA-N
MW381.47 g/mol
LogP4.82
Rot. Bonds6

About [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate

[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate (PubChem CID 7859663) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate
PubChem CID7859663
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate
SMILESC[C@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C23H27NO4/c1-17(22(25)24(2)19-9-5-3-6-10-19)27-23(26)18-13-15-21(16-14-18)28-20-11-7-4-8-12-20/h4,7-8,11-17,19H,3,5-6,9-10H2,1-2H3/t17-/m0/s1
InChIKeyZWWWMJUZCOZTBY-KRWDZBQOSA-N
XLogP4.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 9415090
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 7614757
(4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate
CID 54188372
4-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]oxybenzamide
CID 51142647
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487209
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 7840490
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 26008872
(2S)-N-cyclopentyl-N-methyl-2-naphthalen-2-yloxypropanamide
CID 38015885
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866894
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7838042
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949676
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
CID 92683784

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate?
The IUPAC name of [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate (CID 7859663) is [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate.
What is the SMILES notation for [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate?
The canonical SMILES for [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate is C[C@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)C1CCCCC1.
What is the InChIKey of [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate?
The InChIKey is ZWWWMJUZCOZTBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27NO4/c1-17(22(25)24(2)19-9-5-3-6-10-19)27-23(26)18-13-15-21(16-14-18)28-20-11-7-4-8-12-20/h4,7-8,11-17,19H,3,5-6,9-10H2,1-2H3/t17-/m0/s1.
What are the key properties of [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate?
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate has a molecular weight of 381.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate is sourced from PubChem (CID 7859663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).