methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate

C17H23NO4 — CID 141315431

IUPACmethyl 4-acetamido-2-(cyclohexylmethoxy)benzoate
SMILESCOC(=O)c1ccc(NC(C)=O)cc1OCC1CCCCC1
InChIInChI=1S/C17H23NO4/c1-12(19)18-14-8-9-15(17(20)21-2)16(10-14)22-11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyLQNNABVGEYAWSE-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.39
Rot. Bonds5

About methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate

methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate (PubChem CID 141315431) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-acetamido-2-(cyclohexylmethoxy)benzoate
PubChem CID141315431
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl 4-acetamido-2-(cyclohexylmethoxy)benzoate
SMILESCOC(=O)c1ccc(NC(C)=O)cc1OCC1CCCCC1
InChIInChI=1S/C17H23NO4/c1-12(19)18-14-8-9-15(17(20)21-2)16(10-14)22-11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyLQNNABVGEYAWSE-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide
CID 141315401
methyl 4-acetamido-2-(3-methylbutoxy)benzoate
CID 44576528
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
methyl 3-(cyclohexylmethoxy)-4-iodobenzoate
CID 162393023
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
methyl 2-(cyclopropylmethoxy)-5-iodobenzoate
CID 59193408
methyl 2-(cyclohexylmethoxy)-5-(1-hydroxy-2-phenylethyl)benzoate
CID 139950531
5-acetamido-N-cycloheptyl-2-methoxybenzamide
CID 110764502
2-chloro-N-[3-chloro-4-(cyclopentylmethoxy)phenyl]acetamide
CID 146657640
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
(4-acetamidophenyl) 2-cyclohexylacetate
CID 51152581
methyl 3-amino-4-(cyclobutylmethoxy)benzoate
CID 65459005

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate?
The IUPAC name of methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate (CID 141315431) is methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate.
What is the SMILES notation for methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate?
The canonical SMILES for methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate is COC(=O)c1ccc(NC(C)=O)cc1OCC1CCCCC1.
What is the InChIKey of methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate?
The InChIKey is LQNNABVGEYAWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(19)18-14-8-9-15(17(20)21-2)16(10-14)22-11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,19).
What are the key properties of methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate?
methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate has a molecular weight of 305.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate is sourced from PubChem (CID 141315431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).