methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate

C17H23NO4 — CID 17462378

IUPACmethyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-12(16(19)18-14-6-4-3-5-7-14)22-15-10-8-13(9-11-15)17(20)21-2/h8-12,14H,3-7H2,1-2H3,(H,18,19)
InChIKeyKZXCXGZIZSFLGU-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.69
Rot. Bonds5

About methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate

methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 17462378) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
PubChem CID17462378
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-12(16(19)18-14-6-4-3-5-7-14)22-15-10-8-13(9-11-15)17(20)21-2/h8-12,14H,3-7H2,1-2H3,(H,18,19)
InChIKeyKZXCXGZIZSFLGU-UHFFFAOYSA-N
XLogP2.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
N-cyclohexyl-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 4817669
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
(2R)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480668
(2S)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480667
(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 40855971

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate (CID 17462378) is methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate is COC(=O)c1ccc(OC(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is KZXCXGZIZSFLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(16(19)18-14-6-4-3-5-7-14)22-15-10-8-13(9-11-15)17(20)21-2/h8-12,14H,3-7H2,1-2H3,(H,18,19).
What are the key properties of methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate?
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 305.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 17462378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).